Structure of PDB 2w7o Chain B Binding Site BS03
Receptor Information
>2w7o Chain B (length=429) Species:
9606
(Homo sapiens) [
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KEKINKIIMEATKGSRFYGNELKKEKQVNQRIENMMQQKAQITSQQLRKA
QLQVDRFAMELEQSRNLSNTIVHIDMDAFYAAVEMRDNPELKDKPIAVGS
MSMLSTSNYHARRFGVRAAMPGFIAKRLCPQLIIVPPNFDKYRAVSKEVK
EILADYDPNFMAMSLDEAYLNITKHLEERQNWPEDKRRYFINSVVFGTSA
QEVVKEIRFRIEQKTTLTASAGIAPNTMLAKVCSDKNKPNGQYQILPNRQ
AVMDFIKDLPIRKVSGIGKVTEKMLKALGIITCTELYQQRALLSLLFSET
SWHYFLHISLGLGSTHLTRDGERKSMSVERTFSEINKAEEQYSLCQELCS
ELAQDLQKERLKGRTVTIKLKNVNFEVKTRASTVSSVVSTAEEIFAIAKE
LLKTEIDADFPHPLRLRLMGVRISSFPNE
Ligand information
Ligand ID
DGT
InChI
InChI=1S/C10H16N5O13P3/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1
InChIKey
HAAZLUGHYHWQIW-KVQBGUIXSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
c1nc2c(n1C3CC(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N
CACTVS 3.341
NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O3
CACTVS 3.341
NC1=Nc2n(cnc2C(=O)N1)[C@H]3C[C@H](O)[C@@H](CO[P@](O)(=O)O[P@](O)(=O)O[P](O)(O)=O)O3
ACDLabs 10.04
O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)CC3O
OpenEye OEToolkits 1.5.0
c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N
Formula
C10 H16 N5 O13 P3
Name
2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE
ChEMBL
CHEMBL477486
DrugBank
DB02181
ZINC
ZINC000008215755
PDB chain
2w7o Chain B Residue 1520 [
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Receptor-Ligand Complex Structure
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PDB
2w7o
Structural and Functional Elucidation of the Mechanism Promoting Error-Prone Synthesis by Human DNA Polymerase Kappa Opposite the 7,8-Dihydro-8-Oxo-2'-Deoxyguanosine Adduct.
Resolution
3.16 Å
Binding residue
(original residue number in PDB)
D107 D109 A110 S137 R144 D198 K328
Binding residue
(residue number reindexed from 1)
D75 D77 A78 S105 R112 D166 K238
Annotation score
1
Enzymatic activity
Enzyme Commision number
2.7.7.7
: DNA-directed DNA polymerase.
Gene Ontology
Molecular Function
GO:0003684
damaged DNA binding
GO:0003887
DNA-directed DNA polymerase activity
Biological Process
GO:0006281
DNA repair
View graph for
Molecular Function
View graph for
Biological Process
External links
PDB
RCSB:2w7o
,
PDBe:2w7o
,
PDBj:2w7o
PDBsum
2w7o
PubMed
19542228
UniProt
Q9UBT6
|POLK_HUMAN DNA polymerase kappa (Gene Name=POLK)
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