Structure of PDB 2o8c Chain B Binding Site BS03

Receptor Information
>2o8c Chain B (length=932) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PTVWYHETLEWLKEEKRRDEHRRRPDHPDFDASTLYVPEDFLNSCTPGMR
KWWQIKSQNFDLVICYKVGKFYELYHMDALIGVSELGLVFMKGNWAHSGF
PEIAFGRYSDSLVQKGYKVARVEQTETPEMMEARCRKMAHISKYDRVVRR
EICRIITKGTQTYSVLEGDPSENYSKYLLSLKEKEEDSSHTRAYGVCFVD
TSLGKFFIGQFSDDRHCSRFRTLVAHYPPVQVLFEKGNLSKETKTILKSS
LSCSLQEGLIPGSQFWDASKTLRTLLEEEYFREKLSDGIVMLPQVLKGMT
SESDSIGLTPGEKSELALSALGGCVFYLKKCLIDQELLSMANFEEYIPLD
SDTVSKAYQRMVLDAVTLNNLEIFLNGTNGSTEGTLLERVDTCHTPFGKR
LLKQWLCAPLCNHYAINDRLDAIEDLMVVPDKISEVVELLKKLPDLERLL
SKIHNVGSPLKSQNHPDSRAIMYEETTYSKKKIIDFLSALEGFKVMCKII
GIMEEVADGFKSKILKQVISLQTKNPEGRFPDLTVELNRWDTAFDHEKAR
KTGLITPKAGFSDYDQALADIRENEQSLLEYLEKQRNRIGCRTIVYWGIG
RNRYQLEIPENFTTRNLPEYELKSTKKGCKRYWTKTIEKKLANLINAEER
RDVSLKDCMRRLFYNFDKNYKDWQSAVECIAVLDVLLCLANYSRGGDGPM
CRPVILLPEDTPPFLELKGSRHPCGDDFIPNDILIGCEEEEQENKAYCVL
VTGPNMGGKSTLMRQAGLLAVMAQMGCYVPAEVCRLTPIDRVFTRLGSTF
FVELSETASILMHATAHSLVLVDELGRGTATFDGTAIANAVVKELAETIK
CRTLFSTHYHSLVEDYSQNVAVRLGHMACMTFLYKFIKGACPKSYGFNAA
RLANLPEEVIQKGHRKAREFEKMNQSLRLFRE
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 chain2o8c Chain B Residue 202 [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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PDB2o8c Structure of the Human MutSalpha DNA Lesion Recognition Complex.
Resolution3.37 Å
Binding residue
(original residue number in PDB)		F1108 I1109 N1136 M1137 G1139 K1140 S1141 T1142 Y1287
Binding residue
(residue number reindexed from 1)		F728 I729 N755 M756 G758 K759 S760 T761 Y884
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0030983 mismatched DNA binding
GO:0140664 ATP-dependent DNA damage sensor activity
Biological Process
GO:0006298 mismatch repair

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:2o8c, PDBe:2o8c, PDBj:2o8c
PDBsum2o8c
PubMed17531815
UniProtP52701|MSH6_HUMAN DNA mismatch repair protein Msh6 (Gene Name=MSH6)

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