7REK

Crystal structure of the first bromodomain (BD1) of human BRD4 in complex with dual BRD4-JAK2 inhibitor MA9-086

External Resource: Annotation

Domain Annotation: SCOP/SCOPe Classification
Domain Annotation: SCOP2 Classification
Domain Annotation: ECOD Classification
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	d7reka1	All alpha proteins	Bromodomain-like	Bromodomain	automated matches	automated matches	Human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
A	d7reka2	Artifacts	Tags	Tags	Tags	N-terminal Tags	Human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
B	d7rekb1	All alpha proteins	Bromodomain-like	Bromodomain	automated matches	automated matches	Human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
B	d7rekb2	Artifacts	Tags	Tags	Tags	N-terminal Tags	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)
A	SCOP2B Superfamily	Bromodomain	8084245	3001843	SCOP2B (2022-06-29)
B	SCOP2B Superfamily	Bromodomain	8084245	3001843	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	Bromodomain	e7rekA1	A: alpha bundles	X: Bromodomain-like	H: Bromodomain (From Topology)	T: Bromodomain	F: Bromodomain	ECOD (1.6)
B	Bromodomain	e7rekB1	A: alpha bundles	X: Bromodomain-like	H: Bromodomain (From Topology)	T: Bromodomain	F: Bromodomain	ECOD (1.6)

Protein Family Annotation Pfam Database Homepage

Chains	Accession	Name	Description	Comments	Source
A, B	PF00439	Bromodomain (Bromodomain)	Bromodomain	Bromodomains are 110 amino acid long domains, that are found in many chromatin associated proteins. Bromodomains can interact specifically with acetylated lysine [3].	Domain

Gene Ontology: Gene Product Annotation Gene Ontology Database Homepage

Chains	Polymer	Molecular Function	Biological Process	Cellular Component
A, B	Bromodomain-containing protein 4	p53 binding protein binding binding basal transcription machinery binding RNA polymerase binding RNA polymerase II complex binding basal RNA polymerase II transcription machinery binding RNA polymerase II C-terminal domain binding RNA polymerase core enzyme binding enzyme binding modification-dependent protein binding lysine-acetylated histone binding histone binding acetylation-dependent protein binding p53 binding protein binding binding basal transcription machinery binding RNA polymerase binding RNA polymerase II complex binding basal RNA polymerase II transcription machinery binding RNA polymerase II C-terminal domain binding RNA polymerase core enzyme binding enzyme binding modification-dependent protein binding lysine-acetylated histone binding histone binding acetylation-dependent protein binding DNA binding sequence-specific DNA binding sequence-specific double-stranded DNA binding transcription cis-regulatory region binding double-stranded DNA binding organic cyclic compound binding nucleic acid binding transcription regulatory region nucleic acid binding transcription regulator activity transcription coregulator activity protein-macromolecule adaptor activity molecular adaptor activity chromatin binding transcription coactivator activity histone reader activity chromatin-protein adaptor activity protein-containing complex binding P-TEFb complex binding protein serine/threonine kinase activity RNA polymerase II CTD heptapeptide repeat modifying activity catalytic activity, acting on a protein kinase activity protein kinase activity RNA polymerase II CTD heptapeptide repeat kinase activity transferase activity catalytic activity phosphotransferase activity, alcohol group as acceptor transferase activity, transferring phosphorus-containing groups	cellular response to stimulus cellular response to stress response to stimulus DNA damage response response to stress cellular process positive regulation of cell communication regulation of cellular process positive regulation of signal transduction positive regulation of canonical NF-kappaB signal transduction signaling positive regulation of biological process regulation of signal transduction intracellular signal transduction cellular response to stimulus cellular response to stress response to stimulus DNA damage response response to stress cellular process positive regulation of cell communication regulation of cellular process positive regulation of signal transduction positive regulation of canonical NF-kappaB signal transduction 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 signal transduction positive regulation of cellular process regulation of biological process regulation of signaling biological regulation positive regulation of intracellular signal transduction canonical NF-kappaB signal transduction regulation of response to stimulus regulation of cell communication regulation of canonical NF-kappaB signal transduction positive regulation of signaling viral gene expression biological process involved in interspecies interaction between organisms negative regulation by host of viral transcription modulation by host of symbiont process viral process biological process involved in interaction with symbiont viral transcription biological process involved in symbiotic interaction adaptive immune response based on somatic recombination of immune receptors built from immunoglobulin superfamily domains regulation of alpha-beta T cell activation regulation of leukocyte activation regulation of cell activation positive regulation of T cell differentiation alpha-beta T cell differentiation involved in immune response regulation of cell development multicellular organism development positive regulation of immune response T cell activation cell differentiation regulation of T-helper cell differentiation alpha-beta T cell activation regulation of immune system process positive regulation of CD4-positive, alpha-beta T cell differentiation immune response T-helper cell differentiation alpha-beta T cell lineage commitment positive regulation of cell development immune effector process regulation of leukocyte cell-cell adhesion T-helper 17 cell differentiation cell fate commitment CD4-positive or CD8-positive, alpha-beta T cell lineage commitment positive regulation of alpha-beta T cell differentiation regulation of developmental process positive regulation of adaptive immune response based on somatic recombination of immune receptors built from immunoglobulin superfamily domains cell development positive regulation of leukocyte cell-cell adhesion CD4-positive, alpha-beta T cell differentiation positive regulation of T-helper 17 cell differentiation positive regulation of T-helper cell differentiation positive regulation of cell-cell adhesion regulation of T cell differentiation positive regulation of lymphocyte activation alpha-beta T cell differentiation T cell activation involved in immune response positive regulation of cell differentiation leukocyte activation involved in immune response positive regulation of immune effector process regulation of cell-cell adhesion regulation of T-helper 17 cell differentiation hemopoiesis regulation of cell adhesion cell activation positive regulation of T-helper 17 type immune response regulation of CD4-positive, alpha-beta T cell activation immune system process regulation of lymphocyte activation regulation of immune effector process multicellular organismal process regulation of leukocyte differentiation mononuclear cell differentiation regulation of cell differentiation lymphocyte differentiation cell activation involved in immune response CD4-positive, alpha-beta T cell differentiation involved in immune response positive regulation of developmental process positive regulation of cell activation positive regulation of T-helper 17 cell lineage commitment anatomical structure development positive regulation of leukocyte activation T cell differentiation positive regulation of adaptive immune response CD4-positive, alpha-beta T cell lineage commitment positive regulation of immune system process developmental process positive regulation of T cell activation regulation of adaptive immune response T-helper cell lineage commitment T-helper 17 cell lineage commitment positive regulation of alpha-beta T cell activation regulation of immune response positive regulation of multicellular organismal process leukocyte differentiation cellular developmental process regulation of CD4-positive, alpha-beta T cell differentiation regulation of alpha-beta T cell differentiation lymphocyte activation leukocyte cell-cell adhesion leukocyte activation positive regulation of CD4-positive, alpha-beta T cell activation cell adhesion regulation of adaptive immune response based on somatic recombination of immune receptors built from immunoglobulin superfamily domains cell-cell adhesion alpha-beta T cell activation involved in immune response positive regulation of hemopoiesis CD4-positive, alpha-beta T cell activation regulation of multicellular organismal process lymphocyte activation involved in immune response positive regulation of cell fate commitment regulation of lymphocyte differentiation regulation of multicellular organismal development regulation of T-helper 17 cell lineage commitment regulation of T-helper 17 type immune response regulation of cell fate commitment positive regulation of cell adhesion regulation of T cell activation T cell differentiation involved in immune response T cell lineage commitment adaptive immune response positive T cell selection regulation of hemopoiesis positive regulation of leukocyte differentiation T cell selection positive regulation of lymphocyte differentiation T-helper 17 type immune response regulation of cell cycle phase transition negative regulation of biological process regulation of cellular response to stress negative regulation of cell cycle regulation of cell cycle checkpoint negative regulation of cell cycle phase transition cell cycle regulation of cell cycle process DNA integrity checkpoint signaling negative regulation of DNA damage checkpoint negative regulation of cell cycle checkpoint DNA damage checkpoint signaling negative regulation of signaling negative regulation of intracellular signal transduction cell cycle phase transition negative regulation of cell communication regulation of response to stress negative regulation of cellular process positive regulation of cell cycle process regulation of cell cycle cell cycle process negative regulation of response to stimulus negative regulation of cell cycle process negative regulation of signal transduction positive regulation of cell cycle cell cycle checkpoint signaling positive regulation of cell cycle phase transition signal transduction in response to DNA damage regulation of DNA damage checkpoint regulation of defense response regulation of response to external stimulus defense response regulation of inflammatory response response to external stimulus inflammatory response positive regulation of DNA-templated transcription RNA metabolic process positive regulation of macromolecule biosynthetic process regulation of primary metabolic process nucleobase-containing compound metabolic process RNA biosynthetic process nucleic acid biosynthetic process positive regulation of metabolic process DNA-templated transcription regulation of RNA metabolic process positive regulation of biosynthetic process positive regulation of macromolecule metabolic process regulation of nucleobase-containing compound metabolic process regulation of RNA biosynthetic process regulation of biosynthetic process positive regulation of nucleobase-containing compound metabolic process primary metabolic process regulation of macromolecule metabolic process nucleobase-containing compound biosynthetic process gene expression macromolecule biosynthetic process nucleic acid metabolic process positive regulation of RNA metabolic process regulation of gene expression biosynthetic process positive regulation of RNA biosynthetic process metabolic process regulation of macromolecule biosynthetic process macromolecule metabolic process regulation of DNA-templated transcription regulation of metabolic process transcription by RNA polymerase II regulation of transcription by RNA polymerase II transcription elongation by RNA polymerase II positive regulation of transcription elongation by RNA polymerase II positive regulation of DNA-templated transcription, elongation regulation of DNA-templated transcription elongation regulation of transcription elongation by RNA polymerase II positive regulation of transcription by RNA polymerase II DNA-templated transcription elongation G2/M transition of mitotic cell cycle mitotic cell cycle regulation of mitotic cell cycle positive regulation of mitotic cell cycle phase transition positive regulation of mitotic cell cycle cell cycle G2/M phase transition positive regulation of G2/M transition of mitotic cell cycle regulation of G2/M transition of mitotic cell cycle regulation of cell cycle G2/M phase transition positive regulation of cell cycle G2/M phase transition regulation of mitotic cell cycle phase transition mitotic cell cycle process mitotic cell cycle phase transition cellular component organization chromatin organization chromatin remodeling cellular component organization or biogenesis	membrane-bounded organelle condensed nuclear chromosome intracellular anatomical structure nucleus membrane-enclosed lumen intracellular membraneless organelle nuclear chromosome chromosome intracellular membrane-bounded organelle intracellular organelle lumen intracellular organelle cellular anatomical structure organelle lumen organelle membrane-bounded organelle condensed nuclear chromosome intracellular anatomical structure nucleus membrane-enclosed lumen intracellular membraneless organelle nuclear chromosome chromosome intracellular membrane-bounded organelle intracellular organelle lumen intracellular organelle cellular anatomical structure organelle lumen organelle membraneless organelle condensed chromosome nuclear lumen nucleoplasm

InterPro: Protein Family Classification InterPro Database Homepage

Chains	Accession	Name	Type
A, B	IPR043508	Brdt, bromodomain, repeat I	Domain
A, B	IPR027353	NET domain	Domain
A, B	IPR043509	Brdt, bromodomain, repeat II	Domain
A, B	IPR018359	Bromodomain, conserved site	Conserved Site
A, B	IPR001487	Bromodomain	Domain
A, B	IPR050935	Bromodomain-containing chromatin reader	Family
A, B	IPR038336	NET domain superfamily	Homologous Superfamily
A, B	IPR031354	Bromodomain protein 4, C-terminal	Domain
A, B	IPR036427	Bromodomain-like superfamily	Homologous Superfamily

Pharos: Disease Associations Pharos Homepage Annotation

Chains	Drug Target	Associated Disease
A, B	Pharos: O60885	osteosarcoma medulloblastoma glioblastoma melanotic medulloblastoma adult medulloblastoma thyroid adenoma alopecia prostate cancer Cornelia de Lange syndrome pulmonary hypertension giant cell glioblastoma hyperplasia malignant colon neoplasm medullomyoblastoma with myogenic differentiation autosomal dominant polycystic kidney disease osteosarcoma medulloblastoma glioblastoma melanotic medulloblastoma adult medulloblastoma thyroid adenoma alopecia prostate cancer Cornelia de Lange syndrome pulmonary hypertension giant cell glioblastoma hyperplasia malignant colon neoplasm medullomyoblastoma with myogenic differentiation autosomal dominant polycystic kidney disease childhood medulloblastoma thyroid gland carcinoma juvenile dermatomyositis mature T-cell and NK-cell non-Hodgkin lymphoma ovarian cancer polycystic kidney disease 2 androgenetic alopecia Post-essential thrombocythaemia myelofibrosis benign colon neoplasm primary myelofibrosis colonic neoplasm Cornelia de Lange syndrome 3 hematologic disease lung cancer nut midline carcinoma pancreatic ductal adenocarcinoma astrocytic tumor cancer desmoplastic/nodular medulloblastoma thyroid cancer tuberculosis plasma cell myeloma primary cutaneous T-cell lymphoma Cornelia de Lange syndrome 2 rheumatoid arthritis drug-induced liver injury

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 R01GM157729.