Structure of PDB 7w1m Chain B Binding Site BS02

Receptor Information
>7w1m Chain B (length=528) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MYIKQVIIQGFRSYRDQTIVDPFSSKHNVIVGRNGSGKSNFFYAIQFVLS
DEFSHLRPEQRLALLHEGTGPRVISAFVEIIFDNSDNRLPIDKEEVSLRR
VIGAKKDQYFLDKKMVTKNDVMNLLESAGFSRSNPYYIVKQGKINQMATA
PDSQRLKLLREVAGTRVYDERKEESISLMKETEGKREKINELLKYIEERL
HTLEEEKEELAQYQKWDKMRRALEYTIYNQELNETRAKLDELSAKRETSG
EKSRQLINHDTKELEKMTNRQGMLLKKKEECMKKIRELGSLPQEAFEKYQ
TLSLKQLFRKLEQCNTELKKYSHVNKKALDQFVNFSEQKEKLIKRQEELD
RGYKSIMELMNVLELRKYEAIQLTFKQVSKNFSEVFQKLVPGGKATLVMK
KGQFTGVGIRVSFTGKQGEMREMQQLSGGQKSLVALALIFAIQKCDPAPF
YLFDEIDQALDAQHRKAVSDMIMELAVHAQFITTTFRPELLESADKFYGV
KFRNKVSHIDVITAEMAKDFVEDDTTHG
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 chain7w1m Chain B Residue 1302 [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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PDB7w1m Cryo-EM structure of human cohesin-CTCF complex
Resolution6.5 Å
Binding residue
(original residue number in PDB)		R12 G37 K38 S39 L65 H66 E67 F1191
Binding residue
(residue number reindexed from 1)		R12 G37 K38 S39 L65 H66 E67 F502
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003682 chromatin binding
GO:0003690 double-stranded DNA binding
GO:0003777 microtubule motor activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
GO:0036033 mediator complex binding
GO:0046982 protein heterodimerization activity
GO:0048487 beta-tubulin binding
GO:0070840 dynein complex binding
Biological Process
GO:0000278 mitotic cell cycle
GO:0006275 regulation of DNA replication
GO:0006281 DNA repair
GO:0007062 sister chromatid cohesion
GO:0007064 mitotic sister chromatid cohesion
GO:0019827 stem cell population maintenance
GO:0034087 establishment of mitotic sister chromatid cohesion
GO:0034089 establishment of meiotic sister chromatid cohesion
GO:0051276 chromosome organization
GO:0051301 cell division
GO:0051321 meiotic cell cycle
GO:0090307 mitotic spindle assembly
Cellular Component
GO:0000775 chromosome, centromeric region
GO:0000785 chromatin
GO:0000800 lateral element
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005694 chromosome
GO:0005829 cytosol
GO:0008278 cohesin complex
GO:0016363 nuclear matrix
GO:0030892 mitotic cohesin complex
GO:0030893 meiotic cohesin complex
GO:0097431 mitotic spindle pole

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7w1m, PDBe:7w1m, PDBj:7w1m
PDBsum7w1m
PubMed37536339
UniProtQ9UQE7|SMC3_HUMAN Structural maintenance of chromosomes protein 3 (Gene Name=SMC3)

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