Structure of PDB 7m44 Chain A Binding Site BS04
Receptor Information
>7m44 Chain A (length=312) Species:
9606
(Homo sapiens) [
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NHNLHITEKLEVLAKAYSVQGDKWRALGYAKAINALKSFHKPVTSYQEAC
SIPGIGKRMAEKIIEILESGHLRKLDHISESVPVLELFSNIWGAGTKTAQ
MWYQQGFRSLEDIRSQASLTTQQAIGLKHYSDFLERMPREEATEIEQTVQ
KAAQAFNSGLLCVACGSYRRGKATCGDVDVLITHPDGRSHRGIFSRLLDS
LRQEGFLTDDLVKGETKYLGVCRLPGPGRRHRRLDIIVVPYSEFACALLY
FTGSAHFNRSMRALAKTKGMSLSEHALSTAVVRPGRVLPTPTEKDVFRLL
GLPYREPAERDW
Ligand information
Ligand ID
TTP
InChI
InChI=1S/C10H17N2O14P3/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
InChIKey
NHVNXKFIZYSCEB-XLPZGREQSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O
CACTVS 3.341
CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O2)C(=O)NC1=O
ACDLabs 10.04
O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C(=C1)C)CC2O
OpenEye OEToolkits 1.5.0
CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
CACTVS 3.341
CC1=CN([C@H]2C[C@H](O)[C@@H](CO[P@@](O)(=O)O[P@](O)(=O)O[P](O)(O)=O)O2)C(=O)NC1=O
Formula
C10 H17 N2 O14 P3
Name
THYMIDINE-5'-TRIPHOSPHATE
ChEMBL
CHEMBL363559
DrugBank
DB02452
ZINC
ZINC000008215959
PDB chain
7m44 Chain A Residue 601 [
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Receptor-Ligand Complex Structure
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PDB
7m44
Watching right and wrong nucleotide insertion captures hidden polymerase fidelity checkpoints.
Resolution
1.901 Å
Binding residue
(original residue number in PDB)
R386 G416 S417 R420 G426 D427 D429 Y505 G508 A510 N513
Binding residue
(residue number reindexed from 1)
R136 G166 S167 R170 G176 D177 D179 Y250 G253 A255 N258
Annotation score
1
Enzymatic activity
Enzyme Commision number
2.7.7.7
: DNA-directed DNA polymerase.
4.2.99.-
Gene Ontology
Molecular Function
GO:0003677
DNA binding
GO:0003887
DNA-directed DNA polymerase activity
GO:0016779
nucleotidyltransferase activity
GO:0034061
DNA polymerase activity
Biological Process
GO:0006281
DNA repair
View graph for
Molecular Function
View graph for
Biological Process
External links
PDB
RCSB:7m44
,
PDBe:7m44
,
PDBj:7m44
PDBsum
7m44
PubMed
35680862
UniProt
Q9UGP5
|DPOLL_HUMAN DNA polymerase lambda (Gene Name=POLL)
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