Structure of PDB 6vvo Chain B Binding Site BS01

Receptor Information
>6vvo Chain B (length=316) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YELPWVEKYRPVKLNEIVGNEDTVSRLEVFAREGNVPNIIIAGPPGTGKT
TSILCLARALLGPALKDAMLELNASNDRGIDVVRNKIKMFAQQKVTLPKG
RHKIIILDEADSMTDGAQQALRRTMEIYSKTTRFALACNASDKIIEPIQS
RCAVLRYTKLTDAQILTRLMNVIEKERVPYTDDGLEAIIFTAQGDMRQAL
NNLQSTFSGFGFINSENVFKVCDEPHPLLVKEMIQHCVNANIDEAYKILA
HLWHLGYSPEDIIGNIFRVCKTFQMAEYLKLEFIKEIGYTHMKIAEGVNS
LLQMAGLLARLCQKTM
Ligand information
Ligand IDAGS
InChIInChI=1S/C10H16N5O12P3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-28(18,19)26-29(20,21)27-30(22,23)31/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H,20,21)(H2,11,12,13)(H2,22,23,31)/t4-,6-,7-,10-/m1/s1
InChIKeyNLTUCYMLOPLUHL-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=S)[C@@H](O)[C@H]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=S)[CH](O)[CH]3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N
ACDLabs 12.01O=P(O)(OP(=S)(O)O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
FormulaC10 H16 N5 O12 P3 S
NamePHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER;
ATP-GAMMA-S;
ADENOSINE 5'-(3-THIOTRIPHOSPHATE);
ADENOSINE 5'-(GAMMA-THIOTRIPHOSPHATE);
ADENOSINE-5'-DIPHOSPHATE MONOTHIOPHOSPHATE
ChEMBLCHEMBL131890
DrugBankDB02930
ZINCZINC000008295128
PDB chain6vvo Chain B Residue 402 [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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PDB6vvo Structure of the human clamp loader bound to the sliding clamp: a further twist on AAA+ mechanism
Resolution3.4 Å
Binding residue
(original residue number in PDB)		V39 R43 I50 V51 G52 P78 G79 T80 G81 K82 T83 T84 N172 M229 R230
Binding residue
(residue number reindexed from 1)		V6 R10 I17 V18 G19 P45 G46 T47 G48 K49 T50 T51 N139 M196 R197
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003689 DNA clamp loader activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
GO:0017116 single-stranded DNA helicase activity
GO:0019899 enzyme binding
Biological Process
GO:0006260 DNA replication
GO:0006261 DNA-templated DNA replication
GO:0006281 DNA repair
GO:0032508 DNA duplex unwinding
GO:1900264 positive regulation of DNA-directed DNA polymerase activity
Cellular Component
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005663 DNA replication factor C complex
GO:0031390 Ctf18 RFC-like complex

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6vvo, PDBe:6vvo, PDBj:6vvo
PDBsum6vvo
PubMed
UniProtP35250|RFC2_HUMAN Replication factor C subunit 2 (Gene Name=RFC2)

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