Structure of PDB 7tve Chain E Binding Site BS01

Receptor Information
>7tve Chain E (length=461) Species: 580240 (Saccharomyces cerevisiae W303) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PDLSSFQPGSIIKIRLQDFVTYTLTEFNLSPSLNMIIGPNGSGKSTFVCA
VCLGLAGKPEYIGRSKKVEDFIKNGQDVSKIEITLKNSPNVTDIEYIDAR
DETIKITRIITRSKRRSDYLINDYQVSESVVKTLVAQLNIQLDNLCQFLS
QERVEEFARLKSVKLLVETIRSIDASLLDVLDELRELQGNEQSLQKDLDF
KKAKIVHLRQESDKLRKSVESLRDFQNKKGEIELHQDVLDKLESEIAMVN
HDESAVTILDQVTAELRELEHTVPQQSKDLETIKAKLKEDHAVLEPKLDD
IVSKISARFARLFNNVGSAGAVRLEKPKDYAEWKIEIMVKFRDNAPLKKL
DSHTQSGGERAVSTVLYMIALQEFTSAPFRVVDQINQGMDSRNERIVHKA
MVENACAENTSQYFLITPKLLTGLHYHEKMRIHCVMAGSWIPNPSEDPKM
IHFGETSNYSF
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 chain7tve Chain E Residue 1101 [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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PDB7tve Cryo-EM structure of DNA-bound Smc5/6 reveals DNA clamping enabled by multi-subunit conformational changes.
Resolution3.8 Å
Binding residue
(original residue number in PDB)		V51 G72 G74 K75 S76 R95 Q182 P1049
Binding residue
(residue number reindexed from 1)		V20 G41 G43 K44 S45 R64 Q151 P418
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003684 damaged DNA binding
GO:0003697 single-stranded DNA binding
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
GO:0019789 SUMO transferase activity
Biological Process
GO:0000724 double-strand break repair via homologous recombination
GO:0000725 recombinational repair
GO:0006281 DNA repair
GO:0006310 DNA recombination
GO:0007059 chromosome segregation
GO:0016925 protein sumoylation
GO:0032204 regulation of telomere maintenance
GO:0051304 chromosome separation
GO:0071139 resolution of DNA recombination intermediates
GO:0140588 chromatin looping
Cellular Component
GO:0000781 chromosome, telomeric region
GO:0005634 nucleus
GO:0005694 chromosome
GO:0030915 Smc5-Smc6 complex

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7tve, PDBe:7tve, PDBj:7tve
PDBsum7tve
PubMed35648833
UniProtQ08204|SMC5_YEAST Structural maintenance of chromosomes protein 5 (Gene Name=SMC5)

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