Structure of PDB 7vdt Chain A Binding Site BS04

Receptor Information
>7vdt Chain A (length=617) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KLIDQKKDKRLAYLLQQTDEYYAVAHAVTERVDKQSALMVNGVLKQYQIK
GLEWLVSLYNNNLNGILADEMGLGKTIQTIALITYLMEHKRINGPFLIIV
PLSTLSNWAYEFDKWAPSVVKVSYKGSPAARRAFVPQLRSGKFNVLLTTY
EYIIKDKHILAKIRWKYMIVDEGHRMKNHHCKLTQVLNTHYVAPRRLLLT
GTPLQNKLPELWALLNFLLPTIFKSCSTFEQWFNAPFAMTGEKVDLNEEE
TILIIRRLHKVLRPFLLRRLKKEVEAQLPEKVEYVIKCDMSALQRVLYRH
MQAKGVLLTDGSGTKTLMNTIMQLRKICNHPYMFQHIEESFSEHLGFTGG
IVQGLDLYRASGKFELLDRILPKLRATNHKVLLFCQMTSLMTIMEDYFAY
RGFKYLRLDGTTKAEDRGMLLKTFNEPGSEYFIFLLSTRAGGLGLNLQSA
DTVIIFDSDWNPHQDLQAQDRAHRIGQQNEVRVLRLCTVNSVEEKILAAA
KYKLNVDQKVIQAGMFDQKSSSHERRAFLQAILEHEEQDEEEDEVPDDET
VNQMIARHEEEFDLFMRMDLDRRREEARNPKRKPRLMEEDELPSWIIKEK
MFGRGSRHRKEVDYSDS
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 chain7vdt Chain A Residue 1703 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7vdt Structure of human chromatin-remodelling PBAF complex bound to a nucleosome.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		Q758 G782 G784 K785 T786 I787 W825 N1164 R1192
Binding residue
(residue number reindexed from 1)		Q48 G72 G74 K75 T76 I77 W115 N446 R474
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:7vdt, PDBe:7vdt, PDBj:7vdt
PDBsum7vdt
PubMed35477757
UniProtP51532|SMCA4_HUMAN Transcription activator BRG1 (Gene Name=SMARCA4)

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