Structure of PDB 6zz6 Chain A Binding Site BS02

Receptor Information
>6zz6 Chain A (length=360) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GRLVGLELSNFKSYRGVTKVGFGESNFTSIIGPNGSGKSNMMDAISFVLG
VRSNHLRSNILKDLIYRGVLSNPQSAYVKAFYQKGNKLVELMRIISRNGD
TSYKIDGKTVSYKDYSIFLENENILIKAKNFLVFQGDVEQIAAQSPVELS
RMFEEVSGSIQYKKEYEELKEKIEKLSKSAEEKKILNQFLKIKKKRKELF
EKTFDYVSDHLDAIYRELTKNPNSNVELAGGNASLTIEDEDEPFNAGIKY
HATPPLKRFKDMEYLSGGEKTVAALALLFAINSYQPSPFFVLDQVDAALD
ITNVQRIAAYIRRHRNPDLQFIVISLKNTMFEKSDALVGVYRQQQENSSK
IITLDLSNYA
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=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[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain6zz6 Chain A Residue 2000 [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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PDB6zz6 Transport of DNA within cohesin involves clamping on top of engaged heads by Scc2 and entrapment within the ring by Scc3.
Resolution3.4 Å
Binding residue
(original residue number in PDB)		K13 N35 G36 G38 K39 S40 N41 R58 R68 Q151
Binding residue
(residue number reindexed from 1)		K12 N34 G35 G37 K38 S39 N40 R57 R67 Q135
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
Biological Process
GO:0007062 sister chromatid cohesion
Cellular Component
GO:0008278 cohesin complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6zz6, PDBe:6zz6, PDBj:6zz6
PDBsum6zz6
PubMed32930661
UniProtP32908|SMC1_YEAST Structural maintenance of chromosomes protein 1 (Gene Name=SMC1)

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