Structure of PDB 7vdv Chain A Binding Site BS05

Receptor Information
>7vdv Chain A (length=809) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RGPTPFNQNQLHQLRAQIMAYKMLARGQPLPDHLQMAVDPVEILQEREYR
LQARIAHRIQELENLPGSLAGDLRTKATIELKALRLLNFQRQLRQEVVVC
MRRDTALETALNAKAYKRSKRQSLREARITEKLEKQQKIEQERKRRQKHQ
EYLNSILQHAKDFKEYHRSVTGKIQKLTKAVATYHANTEREQKKKLIDQK
KDKRLAYLLQQTYYAVAHAVTERVDKQSALMVNGVLKQYQIKGLEWLVSL
YNNNLNGILADEMGLGKTIQTIALITYLMEHKRINGPFLIIVPLSTLSNW
AYEFDKWAPSVVKVSYKGSPAARRAFVPQLRSGKFNVLLTTYEYIIKDKH
ILAKIRWKYMIVDEGHRMKNHHCKLTQVLNTHYVAPRRLLLTGTPLQNKL
PELWALLNFLLPTIFKSCSTFEQWFNAPFAMTGEKVDLNEEETILIIRRL
HKVLRPFLLRRLKKEVEAQLPEKVEYVIKCDMSALQRVLYRHMQAKGVLL
TDGSGTKTLMNTIMQLRKICNHPYMFQHIEESFSEHLGFTGGIVQGLDLY
RASGKFELLDRILPKLRATNHKVLLFCQMTSLMTIMEDYFAYRGFKYLRL
DGTTKAEDRGMLLKTFNEPGSEYFIFLLSTRAGGLGLNLQSADTVIIFDS
DWNPHQDLQAQDRAHRIGQQNEVRVLRLCTVNSVEEKILAAAKYKLNVDQ
KVIQAGMFDQKSSSHERRAFLQAILEHEEQDEEEDEVPDDETVNQMIARH
EEEFDLFMRMDLDRRREEARNPKRKPRLMEEDELPSWIIKEKMFGRGSRH
RKEVDYSDS
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain7vdv Chain A Residue 1703 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7vdv Structure of human chromatin-remodelling PBAF complex bound to a nucleosome.
Resolution3.4 Å
Binding residue
(original residue number in PDB)		Q758 M781 G782 L783 G784 K785 T786 I787 W825 N1164 R1192 I1193
Binding residue
(residue number reindexed from 1)		Q240 M263 G264 L265 G266 K267 T268 I269 W307 N638 R666 I667
Annotation score4
Enzymatic activity
Enzyme Commision number 3.6.4.-
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0042393 histone binding
GO:0140658 ATP-dependent chromatin remodeler activity
Biological Process
GO:0006355 regulation of DNA-templated transcription
Cellular Component
GO:0005634 nucleus

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7vdv, PDBe:7vdv, PDBj:7vdv
PDBsum7vdv
PubMed35477757
UniProtP51532|SMCA4_HUMAN Transcription activator BRG1 (Gene Name=SMARCA4)

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