Structure of PDB 1svl Chain C Binding Site BS02
Receptor Information
>1svl Chain C (length=362) [
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KQVSWKLVTEYAMETKCDDVLLLLGMYLEFQYSFEMCLKCIKKEQPSHYK
YHEKHYANAAIFADSKNQKTICQQAVDTVLAKKRVDSLQLTREQMLTNRF
NDLLDRMDIMFGSTGSADIEEWMAGVAWLHCLLPKMDSVVYDFLKCMVYN
IPKKRYWLFKGPIDSGKTTLAAALLELCGGKALNVNLPLDRLNFELGVAI
DQFLVVFEDVKGTGGESRDLPSGQGINNLDNLRDYLDGSVKVNLEKKHLN
KRTQIFPPGIVTMNEYSVPKTLQARFVKQIDFRPKDYLKHCLERSEFLLE
KRIIQSGIALLLMLIWYRPVAEFAQSIQSRIVEWKERLDKEFSLSVYQKM
KFNVAMGIGVLD
Ligand information
Ligand ID
ADP
InChI
InChI=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
InChIKey
XTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
c1nc(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 3.341
Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04
O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341
Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
Formula
C10 H15 N5 O10 P2
Name
ADENOSINE-5'-DIPHOSPHATE
ChEMBL
CHEMBL14830
DrugBank
DB16833
ZINC
ZINC000012360703
PDB chain
1svl Chain C Residue 800 [
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Receptor-Ligand Complex Structure
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PDB
1svl
Mechanisms of conformational change for a replicative hexameric helicase of SV40 large tumor antigen.
Resolution
1.95 Å
Binding residue
(original residue number in PDB)
I428 D429 S430 G431 K432 T433 T434 P549 K550 L553 L557
Binding residue
(residue number reindexed from 1)
I163 D164 S165 G166 K167 T168 T169 P284 K285 L288 L292
Annotation score
5
Enzymatic activity
Enzyme Commision number
3.6.4.-
Gene Ontology
Molecular Function
GO:0003677
DNA binding
GO:0005524
ATP binding
Biological Process
GO:0006260
DNA replication
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Molecular Function
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Biological Process
External links
PDB
RCSB:1svl
,
PDBe:1svl
,
PDBj:1svl
PDBsum
1svl
PubMed
15454080
UniProt
P03070
|LT_SV40 Large T antigen
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