Structure of PDB 7q2x Chain B Binding Site BS04
Receptor Information
>7q2x Chain B (length=388) Species:
559292
(Saccharomyces cerevisiae S288C) [
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QLSPVKNSRVELQKIYDRHQSRLFINELVLENFKSYAGKQVVGPFHTSFS
AVVGPNGSGKSNVIDSMLFVFGFRANKMRQDRLSDLIHKSEAFPSLQSCS
VAVHFQYVIDESSGTSRIDEEKPGLIITRKAFKNNSSKYYINEKESSYTE
VTKLLKNEGIDLDHKRFLILQGEVENIAQMKPKAEKESDDGLLEYLEDII
GTANYKPLIEERMGQIENLVQKRDEVKEQLGILKKKRFDEFMAGFNIISM
TLKEMYQMITMGGNAELELVDSLDPFSEGVTFSVMPPKKSWRNITNLSGG
EKTLSSLALVFALHKYKPTPLYVMDEIDAALDFRNVSIVANYIKERTKNA
QFIVISLRNNMFELAQQLVGVYKRDNRTKSTTIKNIDI
Ligand information
Ligand ID
ADP
InChI
InChI=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
InChIKey
XTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
c1nc(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 3.341
Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04
O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341
Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
Formula
C10 H15 N5 O10 P2
Name
ADENOSINE-5'-DIPHOSPHATE
ChEMBL
CHEMBL14830
DrugBank
DB16833
ZINC
ZINC000012360703
PDB chain
7q2x Chain B Residue 2001 [
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Receptor-Ligand Complex Structure
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PDB
7q2x
Clamping of DNA shuts the condensin neck gate.
Resolution
3.0 Å
Binding residue
(original residue number in PDB)
K165 G188 S189 G190 K191 S192 N193 Q211 D216 K220
Binding residue
(residue number reindexed from 1)
K34 G57 S58 G59 K60 S61 N62 Q80 D85 K89
Annotation score
5
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:7q2x
,
PDBe:7q2x
,
PDBj:7q2x
PDBsum
7q2x
PubMed
35349345
UniProt
Q12267
|SMC4_YEAST Structural maintenance of chromosomes protein 4 (Gene Name=SMC4)
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