Structure of PDB 6yuf Chain C Binding Site BS02

Receptor Information
>6yuf Chain C (length=456) Species: 284812 (Schizosaccharomyces pombe 972h-) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YITKIVIQGFKSYKDYTVIEPLSPHHNVIVGRNGSGKSNFFAAIRFVLSD
AYTHLSREERQALLHEGPGATVMSAYVEVTFANADNRFPTGKSEVVLRRT
IGLKKDEYSLDKKTVSKTEVINLLESAGFSRSNPYYIVPQGRVTSLTNAK
DSERLELLKEVAGTQIYENRRAESNKIMDETIQKSEKIDELLQYIEERLR
ELEEEKNDLAVYHKKDNERRCLEYAIYSREHDEINSVLDSSNAIVKKLHK
INEALKDYGSVNKKAYEQFNNFTKQRDSLLARREELRRSQESISELTTVL
DQRKDEAIERTFKQVAKSFSEIFVKLVPAGRGELVMNRRSISIRVSFNSK
DDEQLNINQLSGGQKSLCALTLIFAIQRCDPAPFNILDECDANLDAQYRS
AIAAMVKEMSKTSQFICTTFRPEMVKVADNFYGVMFNHKVSTVESISKEE
AMAFVE
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 chain6yuf Chain A Residue 1302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6yuf A Structure-Based Mechanism for DNA Entry into the Cohesin Ring.
Resolution3.94 Å
Binding residue
(original residue number in PDB)		Q1096 L1097 S1098
Binding residue
(residue number reindexed from 1)		Q359 L360 S361
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003690 double-stranded DNA binding
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
GO:0061776 topological DNA co-entrapment activity
Biological Process
GO:0007064 mitotic sister chromatid cohesion
GO:0031619 homologous chromosome orientation in meiotic metaphase I
GO:0051276 chromosome organization
GO:0051301 cell division
GO:0140588 chromatin looping
Cellular Component
GO:0000779 condensed chromosome, centromeric region
GO:0005634 nucleus
GO:0005694 chromosome
GO:0005829 cytosol
GO:0008278 cohesin complex
GO:0030892 mitotic cohesin complex
GO:0030893 meiotic cohesin complex

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6yuf, PDBe:6yuf, PDBj:6yuf
PDBsum6yuf
PubMed32755595
UniProtO42649|SMC3_SCHPO Structural maintenance of chromosomes protein 3 (Gene Name=psm3)

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