Structure of PDB 7q2y Chain B Binding Site BS03

Receptor Information
>7q2y Chain B (length=388) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QLSPVKNSRVELQKIYDRHQSRLFINELVLENFKSYAGKQVVGPFHTSFS
AVVGPNGSGKSNVIDSMLFVFGFRANKMRQDRLSDLIHKSEAFPSLQSCS
VAVHFQYVIDESSGTSRIDEEKPGLIITRKAFKNNSSKYYINEKESSYTE
VTKLLKNEGIDLDHKRFLILQGEVENIAQMKPKAEKESDDGLLEYLEDII
GTANYKPLIEERMGQIENLVQKRDEVKEQLGILKKKRFDEFMAGFNIISM
TLKEMYQMITMGGNAELELVDSLDPFSEGVTFSVMPPKKSWRNITNLSGG
EKTLSSLALVFALHKYKPTPLYVMDEIDAALDFRNVSIVANYIKERTKNA
QFIVISLRNNMFELAQQLVGVYKRDNRTKSTTIKNIDI
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 chain7q2y Chain B Residue 2001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7q2y Clamping of DNA shuts the condensin neck gate.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		K165 G188 G190 K191 S192 N193 R210 Q211
Binding residue
(residue number reindexed from 1)		K34 G57 G59 K60 S61 N62 R79 Q80
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003682 chromatin binding
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
Biological Process
GO:0000070 mitotic sister chromatid segregation
GO:0007059 chromosome segregation
GO:0007076 mitotic chromosome condensation
GO:0030261 chromosome condensation
GO:0051276 chromosome organization
GO:0051301 cell division
GO:0070058 tRNA gene clustering
GO:0070550 rDNA chromatin condensation
Cellular Component
GO:0000796 condensin complex
GO:0005634 nucleus
GO:0005694 chromosome
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7q2y, PDBe:7q2y, PDBj:7q2y
PDBsum7q2y
PubMed35349345
UniProtQ12267|SMC4_YEAST Structural maintenance of chromosomes protein 4 (Gene Name=SMC4)

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