Structure of PDB 6yuf Chain C Binding Site BS04

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 C Residue 1202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB6yuf A Structure-Based Mechanism for DNA Entry into the Cohesin Ring.
Resolution3.94 Å
Binding residue
(original residue number in PDB)		S13 N34 G35 S36 G37 K38 S39 N40 L65
Binding residue
(residue number reindexed from 1)		S12 N33 G34 S35 G36 K37 S38 N39 L64
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

View graph for
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)

[Back to BioLiP]