Structure of PDB 8umv Chain A Binding Site BS03

Receptor Information
>8umv Chain A (length=546) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NPVLRRPPILEDYVHVTSTEGVRAYLVLRASSHCLWVDEFAPRHYTELLS
DDFTNRCLLKWLKLWDLVVFGHERPSSHEQVLEEMLEAGLDPSQRPKQKV
ALLCGPPGLGKTTLAHVIARHAGYSVVEMNASDDRSPEVFRTRIEAATQM
ESVLGAGGKPNCLVIDEIDGAPVAAINVLLSILNRKGLLMRPIICICNDQ
FAPSLRQLKQQAFLLHFPPTLPSRLVQRLQEVSLRQGMRADPGVLAALCE
KTDNDIRACINTLQFLYSRGQRELSVRDVQATRVGLKDQRRGLFSVWQEV
FQLPRASLTSASQRFYRVLHAAASAGEHEKVVQGLFDNFLRLRLRDSSLG
AVCVALDWLAFDDLLAGAAHHSQSFQLLRYPPFLPVAFHVLFASSHTPRI
TFPSSQQEAQNRMSQMRNLIQTLVSGIAPATRSRATPQALLLDALCLLLD
ILAPKLRPVSTQLYSTREKQQLASLVGTMLAYSLTYRQERTPDGQYIYRL
EPNVEELCRFPELPARKPLTYQTKQLIAREIEVEKMRRAEASARVE
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 chain8umv Chain A Residue 1202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8umv Cryo-EM reveals a nearly complete PCNA loading process and unique features of the human alternative clamp loader CTF18-RFC.
Resolution2.75 Å
Binding residue
(original residue number in PDB)		V283 F286 P288 L295 P376 G377 G379 K380 T381 T382 N491 R521 R550 I553
Binding residue
(residue number reindexed from 1)		V37 F40 P42 L49 P107 G108 G110 K111 T112 T113 N198 R228 R257 I260
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
Biological Process
GO:0006260 DNA replication
GO:0032508 DNA duplex unwinding
GO:1900264 positive regulation of DNA-directed DNA polymerase activity
Cellular Component
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005829 cytosol
GO:0016020 membrane
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:8umv, PDBe:8umv, PDBj:8umv
PDBsum8umv
PubMed38669181
UniProtQ8WVB6|CTF18_HUMAN Chromosome transmission fidelity protein 18 homolog (Gene Name=CHTF18)

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