3NCZ

X-Ray Co-structure of Rho-Associated Protein Kinase (ROCK1) with a potent 2H-isoquinolin-1-one inhibitor

External Resource: Annotation

Domain Annotation: ECOD Classification
Domain Annotation: CATH
Protein Family Annotation
Gene Ontology: Gene Product Annotation
InterPro: Protein Family Classification
Pharos: Disease Associations

Domain Annotation: ECOD Classification ECOD Database Homepage

Chains	Family Name	Domain Identifier	Architecture	Possible Homology	Homology	Topology	Family	Provenance Source (Version)
A	PF00069	e3nczA1	A: a+b complex topology	X: Protein kinase/SAICAR synthase/ATP-grasp (From Homology)	H: Protein kinase/SAICAR synthase/ATP-grasp	T: Protein kinase	F: PF00069	ECOD (1.6)
B	PF00069	e3nczB1	A: a+b complex topology	X: Protein kinase/SAICAR synthase/ATP-grasp (From Homology)	H: Protein kinase/SAICAR synthase/ATP-grasp	T: Protein kinase	F: PF00069	ECOD (1.6)
C	PF00069	e3nczC1	A: a+b complex topology	X: Protein kinase/SAICAR synthase/ATP-grasp (From Homology)	H: Protein kinase/SAICAR synthase/ATP-grasp	T: Protein kinase	F: PF00069	ECOD (1.6)
D	PF00069	e3nczD1	A: a+b complex topology	X: Protein kinase/SAICAR synthase/ATP-grasp (From Homology)	H: Protein kinase/SAICAR synthase/ATP-grasp	T: Protein kinase	F: PF00069	ECOD (1.6)

Domain Annotation: CATH CATH Database Homepage

Chain	Domain	Class	Architecture	Topology	Homology	Provenance Source (Version)
A	3.30.200.20	Alpha Beta	2-Layer Sandwich	Phosphorylase Kinase	domain 1	CATH (4.3.0)
A	1.10.510.10	Mainly Alpha	Orthogonal Bundle	Transferase(Phosphotransferase)	domain 1	CATH (4.3.0)
B	3.30.200.20	Alpha Beta	2-Layer Sandwich	Phosphorylase Kinase	domain 1	CATH (4.3.0)
B	1.10.510.10	Mainly Alpha	Orthogonal Bundle	Transferase(Phosphotransferase)	domain 1	CATH (4.3.0)
C	3.30.200.20	Alpha Beta	2-Layer Sandwich	Phosphorylase Kinase	domain 1	CATH (4.3.0)
C	1.10.510.10	Mainly Alpha	Orthogonal Bundle	Transferase(Phosphotransferase)	domain 1	CATH (4.3.0)
D	3.30.200.20	Alpha Beta	2-Layer Sandwich	Phosphorylase Kinase	domain 1	CATH (4.3.0)
D	1.10.510.10	Mainly Alpha	Orthogonal Bundle	Transferase(Phosphotransferase)	domain 1	CATH (4.3.0)

Protein Family Annotation Pfam Database Homepage

Chains	Accession	Name	Description	Comments	Source
A, B, C, D	PF00069	Protein kinase domain (Pkinase)	Protein kinase domain	-	Domain

Gene Ontology: Gene Product Annotation Gene Ontology Database Homepage

Chains	Polymer	Molecular Function	Biological Process	Cellular Component
A, B, C, D	Rho-associated protein kinase 1	binding adenyl ribonucleotide binding nucleotide binding purine ribonucleotide binding purine ribonucleoside triphosphate binding nucleoside phosphate binding ion binding purine nucleotide binding organic cyclic compound binding anion binding adenyl nucleotide binding ATP binding heterocyclic compound binding carbohydrate derivative binding binding adenyl ribonucleotide binding nucleotide binding purine ribonucleotide binding purine ribonucleoside triphosphate binding nucleoside phosphate binding ion binding purine nucleotide binding organic cyclic compound binding anion binding adenyl nucleotide binding ATP binding heterocyclic compound binding carbohydrate derivative binding ribonucleotide binding small molecule binding cation binding metal ion binding protein serine/threonine kinase activity catalytic activity, acting on a protein kinase activity protein kinase activity transferase activity catalytic activity phosphotransferase activity, alcohol group as acceptor transferase activity, transferring phosphorus-containing groups small GTPase binding protein binding enzyme binding GTPase binding tau-protein kinase activity cytoskeletal protein binding tau protein binding Rho-dependent protein serine/threonine kinase activity protein serine kinase activity enzyme regulator activity molecular function inhibitor activity peptidase regulator activity molecular function regulator activity enzyme inhibitor activity aspartic-type endopeptidase inhibitor activity peptidase inhibitor activity endopeptidase regulator activity endopeptidase inhibitor activity	regulation of protein binding regulation of molecular function negative regulation of protein binding negative regulation of binding regulation of binding biological regulation negative regulation of molecular function membrane to membrane docking cellular process membrane docking regulation of localization import into cell cellular localization regulation of cellular process regulation of protein binding regulation of molecular function negative regulation of protein binding negative regulation of binding regulation of binding biological regulation negative regulation of molecular function membrane to membrane docking cellular process membrane docking regulation of localization import into cell cellular localization regulation of cellular process regulation of cellular component organization transport synaptic vesicle cycle regulation of synaptic vesicle recycling vesicle-mediated transport presynaptic endocytosis vesicle-mediated transport in synapse cellular component organization localization synaptic vesicle recycling regulation of synaptic vesicle endocytosis establishment of localization in cell cellular component organization or biogenesis regulation of endocytosis synaptic vesicle endocytosis regulation of biological process regulation of transport regulation of vesicle-mediated transport establishment of localization endocytosis positive regulation of cellular component organization cell-substrate junction assembly positive regulation of cell-substrate junction organization positive regulation of biological process cellular component biogenesis cell adhesion cellular component assembly cell junction assembly positive regulation of cell-substrate adhesion regulation of cell-substrate junction organization positive regulation of cellular process focal adhesion assembly positive regulation of focal adhesion assembly positive regulation of cellular component biogenesis regulation of cell-substrate adhesion positive regulation of cell adhesion regulation of cell adhesion cell-substrate adhesion positive regulation of cell-matrix adhesion regulation of cellular component biogenesis regulation of cell junction assembly positive regulation of cell junction assembly cell junction organization cell-matrix adhesion regulation of cell-matrix adhesion cell-substrate junction organization regulation of focal adhesion assembly regulation of cell-substrate junction assembly developmental process multicellular organismal process regulation of developmental process nervous system development developmental maturation synapse maturation regulation of synapse organization multicellular organism development regulation of synapse maturation anatomical structure development regulation of synapse structure or activity synapse organization regulation of biological quality system development protein phosphorylation organonitrogen compound metabolic process phosphorylation cellular metabolic process primary metabolic process organic substance metabolic process macromolecule modification phosphate-containing compound metabolic process metabolic process protein metabolic process macromolecule metabolic process protein modification process phosphorus metabolic process muscle hypertrophy regulation of muscle adaptation system process positive regulation of cardiac muscle hypertrophy response to stimulus regulation of system process striated muscle hypertrophy regulation of muscle system process muscle system process regulation of cardiac muscle hypertrophy regulation of muscle hypertrophy muscle adaptation regulation of response to stimulus positive regulation of muscle hypertrophy cardiac muscle hypertrophy positive regulation of multicellular organismal process regulation of multicellular organismal process cell-cell adhesion leukocyte cell-cell adhesion cellular response to stimulus small GTPase-mediated signal transduction signaling Rho protein signal transduction intracellular signal transduction cell communication intracellular signaling cassette signal transduction positive regulation of phosphorus metabolic process positive regulation of dephosphorylation regulation of dephosphorylation dephosphorylation regulation of cellular metabolic process positive regulation of cellular metabolic process positive regulation of phosphate metabolic process positive regulation of metabolic process regulation of phosphate metabolic process regulation of phosphorus metabolic process regulation of metabolic process positive regulation of autophagy catabolic process autophagy regulation of catabolic process regulation of autophagy cellular catabolic process positive regulation of catabolic process regulation of cellular catabolic process positive regulation of cellular catabolic process process utilizing autophagic mechanism neuron apoptotic process apoptotic process motor neuron apoptotic process cell death programmed cell death regulation of cytoskeleton organization regulation of actin filament-based process actin cytoskeleton organization regulation of organelle organization organelle organization regulation of actin cytoskeleton organization actin filament-based process cytoskeleton organization response to transforming growth factor beta response to endogenous stimulus response to growth factor smooth muscle contraction muscle contraction epithelium development cellular developmental process cell development actin filament-based movement tissue development cell morphogenesis epithelial cell differentiation anatomical structure morphogenesis epithelial cell development epithelial cell morphogenesis cell differentiation actin-mediated cell contraction apical constriction bicellular tight junction assembly negative regulation of biological process tight junction organization negative regulation of cell junction assembly negative regulation of cellular process cell-cell junction assembly cell-cell junction organization regulation of bicellular tight junction assembly negative regulation of cellular component organization apical junction assembly tight junction assembly negative regulation of bicellular tight junction assembly actomyosin structure organization negative regulation of metabolic process negative regulation of phosphate metabolic process negative regulation of cellular metabolic process negative regulation of phosphorus metabolic process regulation of phosphorylation negative regulation of phosphorylation heart development heart valve development animal organ development aortic valve development circulatory system development heart valve morphogenesis semi-lunar valve development aortic valve morphogenesis regulation of phosphatase activity regulation of catalytic activity positive regulation of molecular function positive regulation of phosphatase activity positive regulation of catalytic activity positive regulation of hydrolase activity regulation of hydrolase activity leukocyte migration immune system process cell migration cell motility negative regulation of membrane protein ectodomain proteolysis negative regulation of cellular catabolic process negative regulation of proteolysis macromolecule catabolic process regulation of primary metabolic process negative regulation of protein catabolic process regulation of proteolysis proteolysis membrane protein proteolysis negative regulation of protein metabolic process membrane protein ectodomain proteolysis negative regulation of macromolecule metabolic process organonitrogen compound catabolic process negative regulation of catabolic process regulation of membrane protein ectodomain proteolysis regulation of protein metabolic process regulation of macromolecule metabolic process protein catabolic process organic substance catabolic process regulation of protein catabolic process angiogenesis regulation of vasculature development tube morphogenesis regulation of anatomical structure morphogenesis blood vessel development regulation of multicellular organismal development blood vessel morphogenesis tube development negative regulation of blood vessel morphogenesis negative regulation of developmental process negative regulation of angiogenesis vasculature development negative regulation of vasculature development regulation of angiogenesis anatomical structure formation involved in morphogenesis negative regulation of multicellular organismal process regulation of tube diameter regulation of tube size circulatory system process vascular process in circulatory system blood vessel diameter maintenance blood circulation regulation of anatomical structure size regulation of establishment of cell polarity regulation of establishment or maintenance of cell polarity establishment of cell polarity establishment or maintenance of cell polarity leukocyte tethering or rolling leukocyte adhesion to vascular endothelial cell cellular extravasation muscle cell migration myoblast migration amyloid precursor protein catabolic process regulation of amide metabolic process regulation of amyloid-beta formation regulation of amyloid precursor protein catabolic process amyloid-beta metabolic process amide metabolic process amyloid precursor protein metabolic process amyloid-beta formation cellular biosynthetic process positive regulation of macromolecule biosynthetic process positive regulation of biosynthetic process organic substance biosynthetic process positive regulation of macromolecule metabolic process regulation of biosynthetic process gene expression macromolecule biosynthetic process regulation of cellular biosynthetic process regulation of gene expression biosynthetic process positive regulation of gene expression regulation of macromolecule biosynthetic process positive regulation of cellular biosynthetic process response to organic substance response to angiotensin response to hormone response to chemical response to organonitrogen compound response to peptide hormone response to oxygen-containing compound response to nitrogen compound protein localization protein localization to cell periphery protein localization to plasma membrane cellular macromolecule localization macromolecule localization localization within membrane protein localization to membrane regulation of cell motility regulation of locomotion regulation of cell migration locomotion embryonic morphogenesis embryo development cortical actin cytoskeleton organization cortical cytoskeleton organization mesenchyme development mesenchymal cell differentiation epithelial to mesenchymal transition negative regulation of amyloid precursor protein catabolic process negative regulation of amyloid-beta formation negative regulation of amide metabolic process peptidyl-serine modification peptidyl-serine phosphorylation peptidyl-amino acid modification nucleobase-containing compound metabolic process post-transcriptional regulation of gene expression regulation of RNA metabolic process regulation of nucleobase-containing compound metabolic process RNA catabolic process mRNA catabolic process positive regulation of nucleobase-containing compound metabolic process positive regulation of mRNA metabolic process negative regulation of cellular biosynthetic process nucleobase-containing compound catabolic process positive regulation of RNA metabolic process organic cyclic compound metabolic process negative regulation of gene expression negative regulation of macromolecule biosynthetic process nucleic acid catabolic process RNA metabolic process mRNA destabilization regulation of mRNA catabolic process RNA destabilization mRNA metabolic process nucleic acid metabolic process organic cyclic compound catabolic process regulation of mRNA stability positive regulation of mRNA catabolic process negative regulation of biosynthetic process regulation of RNA stability regulation of mRNA metabolic process plasma membrane bounded cell projection organization cell projection organization neuron projection development generation of neurons neurogenesis neuron differentiation neuron development canonical NF-kappaB signal transduction mitotic cell cycle process cytoskeleton-dependent cytokinesis mitotic cytokinesis cytokinesis cell division cell cycle mitotic cell cycle cell cycle process epithelium migration tissue migration ameboidal-type cell migration podocyte cell migration epithelial cell migration regulation of actin filament bundle assembly actin filament bundle organization stress fiber assembly regulation of actin filament organization actin filament organization regulation of stress fiber assembly contractile actin filament bundle assembly regulation of actomyosin structure organization actin filament bundle assembly regulation of supramolecular fiber organization supramolecular fiber organization bleb assembly plasma membrane bounded cell projection assembly cell projection assembly positive regulation of amyloid-beta clearance amyloid-beta clearance regulation of amyloid-beta clearance positive regulation of tissue remodeling positive regulation of connective tissue replacement regulation of tissue remodeling tissue remodeling connective tissue replacement regulation of connective tissue replacement microtubule cytoskeleton organization regulation of microtubule-based process microtubule-based process regulation of microtubule cytoskeleton organization regulation of epidermal cell differentiation epidermis development regulation of cell differentiation regulation of epithelial cell differentiation epidermal cell differentiation skin development keratinocyte differentiation regulation of epidermis development regulation of keratinocyte differentiation positive regulation of cell communication positive regulation of signal transduction regulation of signal transduction positive regulation of response to stimulus regulation of intracellular signal transduction regulation of signaling positive regulation of MAPK cascade positive regulation of intracellular signal transduction regulation of MAPK cascade MAPK cascade regulation of cell communication positive regulation of signaling cellular response to nitrogen compound angiotensin-activated signaling pathway cellular response to angiotensin cellular response to endogenous stimulus cellular response to organic substance regulation of G protein-coupled receptor signaling pathway cellular response to hormone stimulus cellular response to peptide hormone stimulus cellular response to oxygen-containing compound regulation of angiotensin-activated signaling pathway cellular response to chemical stimulus cellular response to organonitrogen compound G protein-coupled receptor signaling pathway regulation of neuron differentiation regulation of establishment of endothelial barrier endothelium development regulation of cell development endothelial cell development regulation of endothelial cell development endothelial cell differentiation regulation of endothelial cell differentiation establishment of endothelial barrier negative regulation of biomineral tissue development regulation of biomineral tissue development biomineral tissue development protein dephosphorylation negative regulation of catalytic activity negative regulation of myosin-light-chain-phosphatase activity negative regulation of protein modification process negative regulation of dephosphorylation negative regulation of hydrolase activity negative regulation of phosphoprotein phosphatase activity negative regulation of protein dephosphorylation regulation of protein modification process regulation of myosin-light-chain-phosphatase activity regulation of phosphoprotein phosphatase activity negative regulation of phosphatase activity regulation of protein dephosphorylation plasma membrane bounded cell projection morphogenesis cell projection morphogenesis neuron projection morphogenesis neuron projection arborization negative regulation of neuron apoptotic process negative regulation of programmed cell death regulation of apoptotic process regulation of programmed cell death regulation of motor neuron apoptotic process negative regulation of apoptotic process negative regulation of motor neuron apoptotic process regulation of neuron apoptotic process	intracellular anatomical structure cytoplasm cellular anatomical entity cytosol membrane-bounded organelle Golgi membrane Golgi apparatus membrane intracellular membrane-bounded organelle endomembrane system intracellular organelle bounding membrane of organelle organelle organelle membrane intracellular anatomical structure cytoplasm cellular anatomical entity cytosol membrane-bounded organelle Golgi membrane Golgi apparatus membrane intracellular membrane-bounded organelle endomembrane system intracellular organelle bounding membrane of organelle organelle organelle membrane microtubule organizing center cytoskeleton intracellular non-membrane-bounded organelle centriole microtubule cytoskeleton non-membrane-bounded organelle cell periphery plasma membrane extracellular region vesicle lumen intracellular vesicle membrane-enclosed lumen cytoplasmic vesicle lumen secretory granule lumen intracellular organelle lumen cytoplasmic vesicle organelle lumen secretory granule secretory vesicle vesicle Schaffer collateral - CA1 synapse synapse cell junction cell projection cell leading edge plasma membrane bounded cell projection lamellipodium ruffle cytoplasmic ribonucleoprotein granule ribonucleoprotein granule supramolecular complex cytoplasmic stress granule bleb

InterPro: Protein Family Classification InterPro Database Homepage

Chains	Accession	Name	Type
A, B, C, D	IPR000719	Protein kinase domain	Domain
A, B, C, D	IPR037310	Rho-associated protein kinase 1, HR1	Domain
A, B, C, D	IPR011072	HR1 rho-binding domain	Domain
A, B, C, D	IPR017441	Protein kinase, ATP binding site	Binding Site
A, B, C, D	IPR002219	Protein kinase C-like, phorbol ester/diacylglycerol-binding domain	Domain
A, B, C, D	IPR020684	Rho-associated protein kinase 1/2	Family
A, B, C, D	IPR046349	C1-like domain superfamily	Homologous Superfamily
A, B, C, D	IPR008271	Serine/threonine-protein kinase, active site	Active Site
A, B, C, D	IPR001849	Pleckstrin homology domain	Domain
A, B, C, D	IPR011993	PH-like domain superfamily	Homologous Superfamily
A, B, C, D	IPR000961	AGC-kinase, C-terminal	Domain
A, B, C, D	IPR011009	Protein kinase-like domain superfamily	Homologous Superfamily
A, B, C, D	IPR015008	ROCK, Rho binding domain	Domain

Pharos: Disease Associations Pharos Homepage Annotation

Chains	Drug Target	Associated Disease
A, B, C, D	Pharos: Q13464	Prenatal Injuries malignant glioma ocular hypertension glaucoma osteosarcoma

RCSB PDB Core Operations are funded by the National Science Foundation (DBI-1832184), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM133198.