6RP8

Crystal Structure of Ipilimumab Fab complexed with CTLA-4 at 2.6A resolution

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)
C [auth H]	d6rp8h_	All beta proteins	Immunoglobulin-like beta-sandwich	Immunoglobulin	V set domains (antibody variable domain-like)	automated matches	Human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
D [auth L]	d6rp8l1	All beta proteins	Immunoglobulin-like beta-sandwich	Immunoglobulin	V set domains (antibody variable domain-like)	automated matches	Human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
D [auth L]	d6rp8l2	All beta proteins	Immunoglobulin-like beta-sandwich	Immunoglobulin	C1 set domains (antibody constant domain-like)	automated matches	Human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
F [auth c]	d6rp8c_	All beta proteins	Immunoglobulin-like beta-sandwich	Immunoglobulin	V set domains (antibody variable domain-like)	Immunoreceptor CTLA-4 (CD152), N-terminal fragment	Human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)

Domain Annotation: SCOP2 Classification SCOP2 Database Homepage

Chains	Type	Family Name	Domain Identifier	Family Identifier	Provenance Source (Version)
E [auth C]	SCOP2B Superfamily	Immunoglobulin (Ig) domain-like	8054465	3000071	SCOP2B (2022-06-29)
F [auth c]	SCOP2B Superfamily	Immunoglobulin (Ig) domain-like	8054465	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)
C [auth H]	PF07654	e6rp8H2	A: beta sandwiches	X: Immunoglobulin-like beta-sandwich	H: Immunoglobulin-related	T: Immunoglobulin/Fibronectin type III/E set domains/PapD-like	F: PF07654	ECOD (1.6)
C [auth H]	PF07686	e6rp8H1	A: beta sandwiches	X: Immunoglobulin-like beta-sandwich	H: Immunoglobulin-related	T: Immunoglobulin/Fibronectin type III/E set domains/PapD-like	F: PF07686	ECOD (1.6)
A [auth h]	PF07654	e6rp8h1	A: beta sandwiches	X: Immunoglobulin-like beta-sandwich	H: Immunoglobulin-related	T: Immunoglobulin/Fibronectin type III/E set domains/PapD-like	F: PF07654	ECOD (1.6)
A [auth h]	PF07686	e6rp8h2	A: beta sandwiches	X: Immunoglobulin-like beta-sandwich	H: Immunoglobulin-related	T: Immunoglobulin/Fibronectin type III/E set domains/PapD-like	F: PF07686	ECOD (1.6)
B [auth l]	PF07654	e6rp8l1	A: beta sandwiches	X: Immunoglobulin-like beta-sandwich	H: Immunoglobulin-related	T: Immunoglobulin/Fibronectin type III/E set domains/PapD-like	F: PF07654	ECOD (1.6)
B [auth l]	PF07686	e6rp8l2	A: beta sandwiches	X: Immunoglobulin-like beta-sandwich	H: Immunoglobulin-related	T: Immunoglobulin/Fibronectin type III/E set domains/PapD-like	F: PF07686	ECOD (1.6)
D [auth L]	PF07654	e6rp8L2	A: beta sandwiches	X: Immunoglobulin-like beta-sandwich	H: Immunoglobulin-related	T: Immunoglobulin/Fibronectin type III/E set domains/PapD-like	F: PF07654	ECOD (1.6)
D [auth L]	PF07686	e6rp8L1	A: beta sandwiches	X: Immunoglobulin-like beta-sandwich	H: Immunoglobulin-related	T: Immunoglobulin/Fibronectin type III/E set domains/PapD-like	F: PF07686	ECOD (1.6)
E [auth C]	PF07686	e6rp8C1	A: beta sandwiches	X: Immunoglobulin-like beta-sandwich	H: Immunoglobulin-related	T: Immunoglobulin/Fibronectin type III/E set domains/PapD-like	F: PF07686	ECOD (1.6)
F [auth c]	PF07686	e6rp8c1	A: beta sandwiches	X: Immunoglobulin-like beta-sandwich	H: Immunoglobulin-related	T: Immunoglobulin/Fibronectin type III/E set domains/PapD-like	F: PF07686	ECOD (1.6)

Domain Annotation: CATH CATH Database Homepage

Chain	Domain	Class	Architecture	Topology	Homology	Provenance Source (Version)
E [auth C]	2.60.40.10	Mainly Beta	Sandwich	Immunoglobulin-like	Immunoglobulins	CATH (utative)
F [auth c]	2.60.40.10	Mainly Beta	Sandwich	Immunoglobulin-like	Immunoglobulins	CATH (utative)

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 h], C [auth H]	Fab Ipilimumab	VH-CH1	Homo sapiens (human)	IGHV3-3001, IGHV3-3004, IGHV3-3007, IGHV3-3011, IGHV3-3014, IGHV3-3016, IGHV3-3017, IGHV3-30-301, IGHV3-30-303, IGHJ401, IGHJ402, IGHJ403, IGHG103, IGHG108, IGHG1*06	V-DOMAIN VH, C-DOMAIN CH1	IG	FAB-GAMMA-1_KAPPA	IMGT (202416-0)
B [auth l], D [auth L]	Fab Ipilimumab	L-KAPPA	Homo sapiens (human)	IGKV3-2001, IGKJ101, IGKC*01	V-DOMAIN V-KAPPA, C-DOMAIN C-KAPPA	IG	FAB-GAMMA-1_KAPPA	IMGT (202416-0)
E [auth C], F [auth c]	Cytotoxic T-lymphocyte protein 4 (Pr37-154) (P16410)	1V-LIKE	-	CTLA4*01	V-LIKE-DOMAIN V-LIKE	RPI	1V-LIKE	IMGT (202416-0)

SAbDab Antibody Annotation SAbDab Database Homepage

Chain	Chain Class	Chain Subclass	Chain Type	Antigen Name(s)	Provenance Source
A [auth h], C [auth H]	Heavy Chain	IGHV3	-	cytotoxic t-lymphocyte protein 4	SAbDab (2024-04-26)
B [auth l], D [auth L]	Light Chain	IGKV3	Kappa	cytotoxic t-lymphocyte protein 4	SAbDab (2024-04-26)

Thera-SAbDab Antibody Annotation Thera-SAbDab Database Homepage

Chain	Name	Target	Provenance Source
A [auth h], C [auth H]	Nurulimab	CTLA4/CD152, PDCD1/CD279/PD1	Therapeutic SAbDab (2024-04-26)
B [auth l], D [auth L]	Ipilimumab	CTLA4/CD152, PDCD1/CD279/PD1	Therapeutic SAbDab (2024-04-26)

Protein Family Annotation Pfam Database Homepage

Chains	Accession	Name	Description	Comments	Source
E [auth C], F [auth c]	PF07686	Immunoglobulin V-set domain (V-set)	Immunoglobulin V-set domain	This domain is found in antibodies as well as neural protein P0 and CTL4 amongst others.	Domain

Gene Ontology: Gene Product Annotation Gene Ontology Database Homepage

Chains	Polymer	Molecular Function	Biological Process	Cellular Component
A [auth h], C [auth H]	Antibody Ipilimumab heavy chain	-	-	-
B [auth l], D [auth L]	Antibody Ipilimumab light chain	-	-	-
E [auth C], F [auth c]	Cytotoxic T-lymphocyte protein 4	-	cellular response to stimulus cellular response to stress response to stimulus DNA damage response response to stress cellular process negative regulation of lymphocyte proliferation multicellular organismal process regulation of cellular process regulation of leukocyte activation negative regulation of biological process regulation of cell activation lymphocyte activation negative regulation of lymphocyte activation cellular response to stimulus cellular response to stress response to stimulus DNA damage response response to stress cellular process negative regulation of lymphocyte proliferation multicellular organismal process regulation of cellular process regulation of leukocyte activation negative regulation of biological process regulation of cell activation lymphocyte activation negative regulation of lymphocyte activation leukocyte proliferation leukocyte activation negative regulation of mononuclear cell proliferation negative regulation of leukocyte proliferation regulation of B cell proliferation lymphocyte proliferation regulation of B cell activation negative regulation of cellular process regulation of multicellular organismal process regulation of immune system process negative regulation of B cell activation regulation of lymphocyte proliferation regulation of leukocyte proliferation regulation of biological process negative regulation of cell population proliferation cell population proliferation B cell activation biological regulation cell activation B cell proliferation negative regulation of B cell proliferation negative regulation of cell activation negative regulation of immune system process regulation of cell population proliferation mononuclear cell proliferation immune system process regulation of mononuclear cell proliferation negative regulation of multicellular organismal process negative regulation of leukocyte activation regulation of lymphocyte activation immune response-regulating cell surface receptor signaling pathway signaling positive regulation of biological process cell communication positive regulation of response to stimulus immune response-activating signaling pathway immune response-regulating signaling pathway positive regulation of immune response signal transduction positive regulation of immune system process cell surface receptor signaling pathway immune response-activating cell surface receptor signaling pathway immune response B cell receptor signaling pathway regulation of response to stimulus regulation of immune response antigen receptor-mediated signaling pathway activation of immune response T cell receptor signaling pathway adaptive immune response positive regulation of programmed cell death regulation of apoptotic process regulation of programmed cell death cell death positive regulation of apoptotic process apoptotic process programmed cell death positive regulation of cellular process negative regulation of T cell proliferation negative regulation of cell adhesion T cell activation negative regulation of T cell activation negative regulation of leukocyte cell-cell adhesion negative regulation of cell-cell adhesion regulation of leukocyte cell-cell adhesion leukocyte cell-cell adhesion cell adhesion cell-cell adhesion regulation of cell-cell adhesion T cell proliferation regulation of cell adhesion regulation of T cell activation regulation of T cell proliferation regulation of leukocyte differentiation mononuclear cell differentiation regulation of cell differentiation lymphocyte differentiation regulation of cell development multicellular organism development negative regulation of T cell differentiation cell differentiation anatomical structure development T cell differentiation negative regulation of hemopoiesis developmental process negative regulation of leukocyte differentiation negative regulation of lymphocyte differentiation leukocyte differentiation cellular developmental process regulation of developmental process cell development regulation of T cell differentiation negative regulation of regulatory T cell differentiation negative regulation of cell differentiation regulation of lymphocyte differentiation regulation of multicellular organismal development hemopoiesis negative regulation of developmental process regulation of regulatory T cell differentiation negative regulation of cell development regulatory T cell differentiation regulation of hemopoiesis	cell periphery cell surface membrane plasma membrane cellular anatomical entity external side of plasma membrane side of membrane membrane-bounded organelle intracellular organelle intracellular anatomical structure Golgi apparatus organelle cytoplasm intracellular membrane-bounded organelle cell periphery cell surface membrane plasma membrane cellular anatomical entity external side of plasma membrane side of membrane membrane-bounded organelle intracellular organelle intracellular anatomical structure Golgi apparatus organelle cytoplasm intracellular membrane-bounded organelle endomembrane system perinuclear region of cytoplasm intracellular vesicle clathrin-coated endocytic vesicle cytoplasmic vesicle clathrin-coated vesicle coated vesicle vesicle endocytic vesicle protein-containing complex protein complex involved in cell adhesion

InterPro: Protein Family Classification InterPro Database Homepage

Chains	Accession	Name	Type
E [auth C], F [auth c]	IPR040216	Cytotoxic T-lymphocyte protein 4/CD28	Family
E [auth C], F [auth c]	IPR008096	Cytotoxic T-lymphocyte antigen 4	Family
E [auth C], F [auth c]	IPR036179	Immunoglobulin-like domain superfamily	Homologous Superfamily
E [auth C], F [auth c]	IPR003599	Immunoglobulin subtype	Domain
E [auth C], F [auth c]	IPR013783	Immunoglobulin-like fold	Homologous Superfamily
E [auth C], F [auth c]	IPR013106	Immunoglobulin V-set domain	Domain

Pharos: Disease Associations Pharos Homepage Annotation

Chains	Drug Target	Associated Disease
E [auth C], F [auth c]	Pharos: P16410	Hashimoto thyroiditis rheumatoid arthritis systemic lupus erythematosus oral submucous fibrosis alopecia areata juvenile idiopathic arthritis Graves disease autoimmune lymphoproliferative syndrome due to CTLA4 haploinsuffiency celiac disease melanoma adult T-cell leukemia/lymphoma type 1 diabetes mellitus 12 granulomatosis with polyangiitis peripheral nervous system disease graft versus host disease Hashimoto thyroiditis rheumatoid arthritis systemic lupus erythematosus oral submucous fibrosis alopecia areata juvenile idiopathic arthritis Graves disease autoimmune lymphoproliferative syndrome due to CTLA4 haploinsuffiency celiac disease melanoma adult T-cell leukemia/lymphoma type 1 diabetes mellitus 12 granulomatosis with polyangiitis peripheral nervous system disease graft versus host disease mycosis fungoides peripheral neuropathy primary cutaneous T-cell non-Hodgkin lymphoma Sezary syndrome cutaneous lupus erythematosus Lymphoma, T-Cell, Cutaneous vitiligo diabetes mellitus malignant pleural mesothelioma gastric cancer ovarian disease acquired metabolic disease HIV infectious disease primary biliary cholangitis interstitial cystitis prostate disease autoimmune disease B-cell chronic lymphocytic leukemia kidney disease Sjogren syndrome breast cancer lung cancer ulcerative colitis colitis cutaneous melanoma major depressive disorder gastric carcinoma myasthenia gravis granulomatous slack skin disease osteosarcoma head and neck cancer acute T cell leukemia hypothyroidism primary cutaneous T-cell lymphoma arthritic joint disease invasive ductal breast carcinoma psoriasis autoimmune lymphoproliferative syndrome schizophrenia bipolar disorder skin basal cell carcinoma breast disease lung disease type 1 diabetes mellitus celiac disease, susceptibility to, 3 lymphatic system disease colonic disease demyelinating disease malignant colon neoplasm ovarian cancer hematologic disease inborn carbohydrate metabolic disorder atopic eczema renal cell carcinoma brain disease liver disease skin disease cancer lupus erythematosus chronic obstructive pulmonary disease

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), 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.