3O2D

Crystal structure of HIV-1 primary receptor CD4 in complex with a potent antiviral antibody

External Resource: Annotation

Domain Annotation: SCOP/SCOPe Classification
Domain Annotation: SCOP2 Classification
Domain Annotation: ECOD Classification
Domain Annotation: CATH
IMGT Antibody Annotation
SAbDab Antibody Annotation
Thera-SAbDab Antibody Annotation
Protein Family Annotation
Gene Ontology: Gene Product Annotation
InterPro: Protein Family Classification
Pharos: Disease Associations

Domain Annotation: SCOP/SCOPe Classification SCOP-e Database Homepage

Chains	Domain Info	Class	Fold	Superfamily	Family	Domain	Species	Provenance Source (Version)
A [auth L]	d3o2dl2	All beta proteins	Immunoglobulin-like beta-sandwich	Immunoglobulin	C1 set domains (antibody constant domain-like)	automated matches	mouse (Mus musculus ) [TaxId: 10090 ],	SCOPe (2.08)
A [auth L]	d3o2dl1	All beta proteins	Immunoglobulin-like beta-sandwich	Immunoglobulin	automated matches	automated matches	mouse (Mus musculus ) [TaxId: 10090 ],	SCOPe (2.08)
C [auth A]	d3o2da1	All beta proteins	Immunoglobulin-like beta-sandwich	Immunoglobulin	V set domains (antibody variable domain-like)	CD4 V-set domains	human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
C [auth A]	d3o2da2	All beta proteins	Immunoglobulin-like beta-sandwich	Immunoglobulin	C2 set domains	CD4 C2-set domains	human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
B [auth H]	d3o2dh1	All beta proteins	Immunoglobulin-like beta-sandwich	Immunoglobulin	automated matches	automated matches	mouse (Mus musculus ) [TaxId: 10090 ],	SCOPe (2.08)
B [auth H]	d3o2dh2	Artifacts	Tags	Tags	Tags	N-terminal Tags	mouse (Mus musculus ) [TaxId: 10090 ],	SCOPe (2.08)

Domain Annotation: SCOP2 Classification SCOP2 Database Homepage

Chains	Type	Family Name	Domain Identifier	Family Identifier	Provenance Source (Version)
C [auth A]	SCOP2B Superfamily	Immunoglobulin (Ig) domain-like	8054493	3000071	SCOP2B (2022-06-29)
C [auth A]	SCOP2B Superfamily	Immunoglobulin (Ig) domain-like	8054739	3000071	SCOP2B (2022-06-29)

Domain Annotation: ECOD Classification ECOD Database Homepage

Chains	Family Name	Domain Identifier	Architecture	Possible Homology	Homology	Topology	Family	Provenance Source (Version)
A [auth L]	C1-set_4	e3o2dL2	A: beta sandwiches	X: Immunoglobulin-like beta-sandwich	H: Immunoglobulin-related	T: Immunoglobulin/Fibronectin type III/E set domains/PapD-like	F: C1-set_4	ECOD (1.6)
A [auth L]	V-set	e3o2dL1	A: beta sandwiches	X: Immunoglobulin-like beta-sandwich	H: Immunoglobulin-related	T: Immunoglobulin/Fibronectin type III/E set domains/PapD-like	F: V-set	ECOD (1.6)
C [auth A]	C2-set	e3o2dA2	A: beta sandwiches	X: Immunoglobulin-like beta-sandwich	H: Immunoglobulin-related	T: Immunoglobulin/Fibronectin type III/E set domains/PapD-like	F: C2-set	ECOD (1.6)
C [auth A]	V-set_9	e3o2dA1	A: beta sandwiches	X: Immunoglobulin-like beta-sandwich	H: Immunoglobulin-related	T: Immunoglobulin/Fibronectin type III/E set domains/PapD-like	F: V-set_9	ECOD (1.6)
B [auth H]	V-set_8	e3o2dH1	A: beta sandwiches	X: Immunoglobulin-like beta-sandwich	H: Immunoglobulin-related	T: Immunoglobulin/Fibronectin type III/E set domains/PapD-like	F: V-set_8	ECOD (1.6)
B [auth H]	C1-set_1	e3o2dH2	A: beta sandwiches	X: Immunoglobulin-like beta-sandwich	H: Immunoglobulin-related	T: Immunoglobulin/Fibronectin type III/E set domains/PapD-like	F: C1-set_1	ECOD (1.6)

Domain Annotation: CATH CATH Database Homepage

Chain	Domain	Class	Architecture	Topology	Homology	Provenance Source (Version)
A [auth L]	2.60.40.10	Mainly Beta	Sandwich	Immunoglobulin-like	Immunoglobulins	CATH (4.3.0)
C [auth A]	2.60.40.10	Mainly Beta	Sandwich	Immunoglobulin-like	Immunoglobulins	CATH (4.3.0)
B [auth H]	2.60.40.10	Mainly Beta	Sandwich	Immunoglobulin-like	Immunoglobulins	CATH (4.3.0)

IMGT Antibody Annotation IMGT Database Homepage

Chain	Protein Name	Description	Organism Name	Gene Allele Name(s)	Domain Name(s)	Receptor Type	Receptor Description	Provenance Source
A [auth L]	ibalizumab Fab, anti-CD4	L-KAPPA	Humanized (humanized)	IGKV4-101, IGKJ401, IGKJ402, IGKC01	V-DOMAIN V-KAPPA, C-DOMAIN C-KAPPA	IG	FAB-GAMMA-4_KAPPA	IMGT (202415-0)
C [auth A]	CD4	1V-1C-LIKE	Homo sapiens (human)	CD4	V-LIKE-DOMAIN V-LIKE, C-LIKE-DOMAIN C-LIKE	RPI	1V-1C-LIKE	IMGT (202415-0)
B [auth H]	ibalizumab Fab, anti-CD4	VH-CH1	Humanized (humanized)	IGHV1-4601, IGHV1-4603, IGHJ501, IGHG401, IGHG4*04	V-DOMAIN VH, C-DOMAIN CH1	IG	FAB-GAMMA-4_KAPPA	IMGT (202415-0)

SAbDab Antibody Annotation SAbDab Database Homepage

Chain	Chain Class	Chain Subclass	Chain Type	Antigen Name(s)	Provenance Source
A [auth L]	Light Chain	IGKV4	Kappa	t-cell surface glycoprotein cd4	SAbDab (2024-04-19)
B [auth H]	Heavy Chain	IGHV1	-	t-cell surface glycoprotein cd4	SAbDab (2024-04-19)

Thera-SAbDab Antibody Annotation Thera-SAbDab Database Homepage

Chain	Name	Target	Provenance Source
A [auth L]	Ibalizumab	CD4	Therapeutic SAbDab (2024-04-19)
B [auth H]	Ibalizumab	CD4	Therapeutic SAbDab (2024-04-19)

Protein Family Annotation Pfam Database Homepage

Chains	Accession	Name	Description	Comments	Source
C [auth A]	PF05790	Immunoglobulin C2-set domain (C2-set)	Immunoglobulin C2-set domain	-	Domain
C [auth A]	PF00047	Immunoglobulin domain (ig)	Immunoglobulin domain	Members of the immunoglobulin superfamily are found in hundreds of proteins of different functions. Examples include antibodies, the giant muscle kinase titin and receptor tyrosine kinases. Immunoglobulin-like domains may be involved in protein-prot ...	Members of the immunoglobulin superfamily are found in hundreds of proteins of different functions. Examples include antibodies, the giant muscle kinase titin and receptor tyrosine kinases. Immunoglobulin-like domains may be involved in protein-protein and protein-ligand interactions.	Domain

Gene Ontology: Gene Product Annotation Gene Ontology Database Homepage

Chains	Polymer	Molecular Function	Biological Process	Cellular Component
A [auth L]	ibalizumab light chain	-	-	-
C [auth A]	T-cell surface glycoprotein CD4	molecular transducer activity coreceptor activity signaling receptor activity protein-containing complex binding binding MHC protein complex binding MHC class II protein complex binding interleukin-16 binding protein binding cytokine binding protein tyrosine kinase binding kinase binding enzyme binding protein kinase binding molecular transducer activity coreceptor activity signaling receptor activity protein-containing complex binding binding MHC protein complex binding MHC class II protein complex binding interleukin-16 binding protein binding cytokine binding protein tyrosine kinase binding kinase binding enzyme binding protein kinase binding identical protein binding transmembrane signaling receptor activity virus receptor activity exogenous protein binding signaling receptor binding MHC class II protein binding MHC protein binding interleukin-16 receptor activity cytokine receptor activity immune receptor activity structural molecule activity extracellular matrix structural constituent protein homodimerization activity protein dimerization activity lipid binding cation binding transition metal ion binding zinc ion binding ion binding metal ion binding small molecule binding	cellular response to stimulus positive regulation of cell communication regulation of cellular process positive regulation of signal transduction response to stimulus signaling positive regulation of biological process regulation of signal transduction intracellular signal transduction cell communication positive regulation of response to stimulus regulation of intracellular signal transduction intracellular signaling cassette regulation of calcium-mediated signaling cellular response to stimulus positive regulation of cell communication regulation of cellular process positive regulation of signal transduction response to stimulus signaling positive regulation of biological process regulation of signal transduction intracellular signal transduction cell communication positive regulation of response to stimulus regulation of intracellular signal transduction intracellular signaling cassette regulation of calcium-mediated signaling positive regulation of calcium-mediated signaling signal transduction positive regulation of cellular process regulation of biological process regulation of signaling biological regulation positive regulation of intracellular signal transduction regulation of response to stimulus calcium-mediated signaling regulation of cell communication cellular process positive regulation of signaling maintenance of protein location protein localization localization cellular localization maintenance of protein location in cell cellular macromolecule localization macromolecule localization maintenance of location maintenance of location in cell immune response immune system process adaptive immune response regulation of calcium ion transport regulation of localization transport regulation of transport regulation of monoatomic ion transport establishment of localization metal ion transport calcium ion transport monoatomic ion transport regulation of metal ion transport monoatomic cation transport positive regulation of phosphorylation regulation of catalytic activity positive regulation of cellular metabolic process regulation of transferase activity positive regulation of phosphate metabolic process positive regulation of metabolic process positive regulation of molecular function regulation of phosphate metabolic process phosphate-containing compound metabolic process phosphorus metabolic process positive regulation of transferase activity positive regulation of phosphorus metabolic process phosphorylation cellular metabolic process positive regulation of catalytic activity regulation of cellular metabolic process regulation of molecular function positive regulation of kinase activity regulation of kinase activity regulation of phosphorylation regulation of phosphorus metabolic process metabolic process regulation of metabolic process developmental process multicellular organismal process cellular developmental process hemopoiesis cell activation cell development mononuclear cell differentiation lymphocyte activation lymphocyte differentiation leukocyte activation T cell activation cell differentiation anatomical structure development T cell differentiation leukocyte differentiation interleukin-15-mediated signaling pathway response to organic substance cell surface receptor signaling pathway response to cytokine cellular response to interleukin-15 cytokine-mediated signaling pathway cellular response to chemical stimulus response to chemical cellular response to cytokine stimulus cellular response to organic substance response to interleukin-15 regulation of leukocyte activation regulation of cell activation regulation of T cell activation regulation of multicellular organismal process regulation of immune system process regulation of lymphocyte activation myeloid leukocyte differentiation regulation of leukocyte differentiation positive regulation of monocyte differentiation regulation of developmental process regulation of cell differentiation regulation of cell development positive regulation of developmental process multicellular organism development positive regulation of cell differentiation positive regulation of hemopoiesis monocyte differentiation positive regulation of immune system process regulation of multicellular organismal development regulation of monocyte differentiation regulation of myeloid cell differentiation positive regulation of cell development regulation of myeloid leukocyte differentiation positive regulation of myeloid leukocyte differentiation myeloid cell differentiation positive regulation of myeloid cell differentiation regulation of hemopoiesis positive regulation of multicellular organismal process positive regulation of leukocyte differentiation cell adhesion biological process involved in interspecies interaction between organisms response to other organism defense response response to external stimulus defense response to Gram-negative bacterium response to biotic stimulus defense response to bacterium defense response to other organism response to stress response to bacterium response to external biotic stimulus regulation of primary metabolic process positive regulation of macromolecule metabolic process protein modification process positive regulation of protein phosphorylation protein phosphorylation regulation of protein metabolic process primary metabolic process macromolecule modification macromolecule metabolic process regulation of protein modification process regulation of protein phosphorylation positive regulation of protein metabolic process positive regulation of protein modification process organic substance metabolic process protein metabolic process positive regulation of protein kinase activity organonitrogen compound metabolic process regulation of protein kinase activity regulation of macromolecule metabolic process positive regulation of viral life cycle positive regulation of viral process viral life cycle modulation by symbiont of entry into host biological process involved in interaction with host biological process involved in symbiotic interaction regulation of viral entry into host cell regulation of viral life cycle regulation of viral process symbiont entry into host cell viral process symbiont entry into host positive regulation of viral entry into host cell positive regulation by symbiont of entry into host regulation of biological process involved in symbiotic interaction adaptive immune response based on somatic recombination of immune receptors built from immunoglobulin superfamily domains helper T cell enhancement of adaptive immune response positive regulation of adaptive immune response based on somatic recombination of immune receptors built from immunoglobulin superfamily domains regulation of adaptive immune response regulation of adaptive immune response based on somatic recombination of immune receptors built from immunoglobulin superfamily domains positive regulation of immune response regulation of immune response positive regulation of adaptive immune response positive regulation of canonical NF-kappaB signal transduction canonical NF-kappaB signal transduction regulation of canonical NF-kappaB signal transduction positive regulation of ERK1 and ERK2 cascade positive regulation of MAPK cascade regulation of MAPK cascade MAPK cascade ERK1 and ERK2 cascade regulation of ERK1 and ERK2 cascade T cell selection response to granulocyte macrophage colony-stimulating factor cellular response to granulocyte macrophage colony-stimulating factor stimulus macrophage differentiation cellular biosynthetic process positive regulation of macromolecule biosynthetic process positive regulation of biosynthetic process regulation of cytokine production organic substance biosynthetic process cytokine production regulation of biosynthetic process regulation of interleukin-2 production interleukin-2 production gene expression macromolecule biosynthetic process positive regulation of interleukin-2 production regulation of cellular biosynthetic process regulation of gene expression biosynthetic process positive regulation of gene expression regulation of macromolecule biosynthetic process positive regulation of cytokine production positive regulation of cellular biosynthetic process nucleobase-containing compound metabolic process DNA-templated transcription regulation of RNA metabolic process regulation of nucleobase-containing compound metabolic process positive regulation of nucleobase-containing compound metabolic process positive regulation of RNA metabolic process organic cyclic compound metabolic process organic cyclic compound biosynthetic process regulation of DNA-templated transcription positive regulation of DNA-templated transcription RNA metabolic process RNA biosynthetic process nucleic acid biosynthetic process regulation of RNA biosynthetic process nucleobase-containing compound biosynthetic process nucleic acid metabolic process positive regulation of RNA biosynthetic process enzyme-linked receptor protein signaling pathway positive regulation of leukocyte cell-cell adhesion leukocyte cell-cell adhesion positive regulation of cell-cell adhesion positive regulation of lymphocyte activation positive regulation of cell activation cell-cell adhesion positive regulation of leukocyte activation regulation of cell-cell adhesion positive regulation of T cell activation positive regulation of cell adhesion regulation of cell adhesion regulation of leukocyte cell-cell adhesion cell surface receptor protein tyrosine kinase signaling pathway peptidyl-tyrosine modification positive regulation of peptidyl-tyrosine phosphorylation peptidyl-amino acid modification regulation of peptidyl-tyrosine phosphorylation peptidyl-tyrosine phosphorylation	cell periphery cell surface membrane plasma membrane cellular anatomical entity external side of plasma membrane side of membrane membrane-bounded organelle intracellular anatomical structure intracellular vesicle intracellular organelle bounding membrane of organelle cytoplasmic vesicle vesicle membrane cell periphery cell surface membrane plasma membrane cellular anatomical entity external side of plasma membrane side of membrane membrane-bounded organelle intracellular anatomical structure intracellular vesicle intracellular organelle bounding membrane of organelle cytoplasmic vesicle vesicle membrane clathrin-coated vesicle endocytic vesicle membrane coated vesicle vesicle endocytic vesicle clathrin-coated vesicle membrane clathrin-coated endocytic vesicle membrane intracellular membrane-bounded organelle clathrin-coated endocytic vesicle cytoplasmic vesicle membrane coated vesicle membrane organelle cytoplasm organelle membrane membrane-enclosed lumen endomembrane system intracellular organelle lumen endoplasmic reticulum lumen organelle lumen endoplasmic reticulum protein-containing complex plasma membrane protein complex plasma membrane signaling receptor complex membrane protein complex T cell receptor complex receptor complex membrane microdomain membrane raft organelle subcompartment endoplasmic reticulum subcompartment nuclear outer membrane-endoplasmic reticulum membrane network endoplasmic reticulum membrane early endosome endosome
B [auth H]	ibalizumab heavy chain	-	-	-

InterPro: Protein Family Classification InterPro Database Homepage

Chains	Accession	Name	Type
C [auth A]	IPR021963	T cell CD4 receptor C-terminal region	Domain
C [auth A]	IPR036179	Immunoglobulin-like domain superfamily	Homologous Superfamily
C [auth A]	IPR013106	Immunoglobulin V-set domain	Domain
C [auth A]	IPR000973	T-cell surface antigen CD4	Family
C [auth A]	IPR008424	Immunoglobulin C2-set	Domain
C [auth A]	IPR015274	CD4, extracellular	Domain
C [auth A]	IPR013783	Immunoglobulin-like fold	Homologous Superfamily
C [auth A]	IPR013151	Immunoglobulin	Domain
C [auth A]	IPR007110	Immunoglobulin-like domain	Domain
C [auth A]	IPR003599	Immunoglobulin subtype	Domain
C [auth A]	IPR003598	Immunoglobulin subtype 2	Domain

Pharos: Disease Associations Pharos Homepage Annotation

Chains	Drug Target	Associated Disease
C [auth A]	Pharos: P01730	Duchenne muscular dystrophy diabetes mellitus AIDS-Related Opportunistic Infections coronary artery disease lymphopenia cryptococcosis malignant glioma neutropenia Duchenne and Becker muscular dystrophy ovarian disease glioblastoma pneumonia adult acute respiratory distress syndrome hepatitis B virus infection rheumatoid arthritis Duchenne muscular dystrophy diabetes mellitus AIDS-Related Opportunistic Infections coronary artery disease lymphopenia cryptococcosis malignant glioma neutropenia Duchenne and Becker muscular dystrophy ovarian disease glioblastoma pneumonia adult acute respiratory distress syndrome hepatitis B virus infection rheumatoid arthritis HIV infectious disease severe combined immunodeficiency arthritic joint disease IgA glomerulonephritis syphilis autoimmune disease breast carcinoma influenza toxoplasmosis candidiasis kidney disease uveitis colorectal cancer lung carcinoma vertebral column disease COVID-19 lymphoproliferative syndrome cutaneous lupus erythematosus measles diarrheal disease obesity disorder peripheral neuropathy heart disease prostate disease agammaglobulinemia hepatitis C virus infection rhinitis allergic disease hypereosinophilic syndrome skin disease asthma Becker muscular dystrophy inborn carbohydrate metabolic disorder tetanus breast disease interstitial lung disease tuberculosis colitis leishmaniasis vaccinia congenital T-cell immunodeficiency lymphatic system disease Crohn disease malaria demyelinating disease Okt4 epitope deficiency encephalitis pneumocystosis helminthiasis retinitis AIDS herpes zoster sarcoidosis anemia hypertensive disorder subependymal giant cell astrocytoma atherosclerosis bone marrow disease infectious meningitis thrombocytopenia cancer invasive ductal breast carcinoma uterine disease colonic disease liver disease vasculitis

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.