Structure of PDB 6vz4 Chain K Binding Site BS04

Receptor Information
>6vz4 Chain K (length=616) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RKKERNLHLQKINSIIDFIKERQSEQWSRQERCFQFGRLGASLHNQMEKD
EQKRIERTAKQRLAALKSNLLDQTKDTRITQLLRQTNSFLDSLSEAVRAQ
QNDYYEVAHRIKEKIDKQPSILVGGTLKEYQLRGLEWMVSLYNNHLNGIL
ADEMGLGKTIQSISLITYLYEVKKDIGPFLVIVPLSTITNWTLEFEKWAP
SLNTIIYKGTPNQRHSLQHQIRVGNFDVLLTTYEYIIKDKSLLSKHDWAH
MIIDEGHRMKNAQSKLSFTISHYYRTRNRLILTGTPLQNNLPELWALLNF
VLPKIFNSAKTFEDWFNTPFLTEEETLLIIRRLHKVLRPFLLRRLKKEVE
KDLPDKVEKVIKCKLSGLQQQLYQQMLKHNNNKIMQLRKICNHPFVFDEV
EGVVNPSRGNSDLLFRVAGKFELLDRVLPKFKASGHRVLMFFQMTQVMDI
MEDFLRMKDLKYMRLDGSTKTEERTEMLNAFNAPDSDYFCFLLSTRAGGL
GLNLQTADTVIIFDTDWNPHQDLQAQDRAHRIGQKNEVRILRLITTDSVE
EVILERAMQKLDIDGKVIQAGAELDDDELNDTLARSADEKILFDKIDKER
MNQEKEDSEPLGRIRQ
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 chain6vz4 Chain K Residue 1502 [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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PDB6vz4 Structural insights into assembly and function of the RSC chromatin remodeling complex.
Resolution3.9 Å
Binding residue
(original residue number in PDB)		T469 Q474 G498 G500 K501 T502 I503 R903 I904
Binding residue
(residue number reindexed from 1)		T126 Q131 G155 G157 K158 T159 I160 R531 I532
Annotation score5
Enzymatic activity
Enzyme Commision number 3.6.4.12: DNA helicase.
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0042393 histone binding
GO:0140658 ATP-dependent chromatin remodeler activity

View graph for
Molecular Function
External links
PDB RCSB:6vz4, PDBe:6vz4, PDBj:6vz4
PDBsum6vz4
PubMed33288924
UniProtP32597|STH1_YEAST Nuclear protein STH1/NPS1 (Gene Name=STH1)

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