Structure of PDB 4xus Chain A Binding Site BS07

Receptor Information
>4xus Chain A (length=323) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HNLHITEKLEVLAKAYSVQGDKWRALGYAKAINALKSFHKPVTSYQEACS
IPGIGKRMAEKIIEILESGHLRKLDHISESVPVLELFSNIWGAGTKTAQM
WYQQGFRSLEDIRSQASLTTQQAIGLKHYSDFLERMPREEATEIEQTVQK
AAQAFNSGLLCVACGSYRRGKATCGDVDVLITHPDGRSHRGIFSRLLDSL
RQEGFLTDDLVSQEENGQQQKYLGVCRLPGPGRRHRRLDIIVVPYSEFAC
ALLYFTGSAHFNRSMRALAKTKGMSLSEHALSTAVVRNHGCKVGPGRVLP
TPTEKDVFRLLGLPYREPAERDW
Ligand information
Ligand IDDOC
InChIInChI=1S/C9H14N3O6P/c10-7-3-4-12(9(13)11-7)8-2-1-6(18-8)5-17-19(14,15)16/h3-4,6,8H,1-2,5H2,(H2,10,11,13)(H2,14,15,16)/t6-,8+/m0/s1
InChIKeyRAJMXAZJKUGYGW-POYBYMJQSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C[C@@H](O[C@@H]1COP(=O)(O)O)N2C=CC(=NC2=O)N
CACTVS 3.341NC1=NC(=O)N(C=C1)[CH]2CC[CH](CO[P](O)(O)=O)O2
CACTVS 3.341NC1=NC(=O)N(C=C1)[C@H]2CC[C@@H](CO[P](O)(O)=O)O2
OpenEye OEToolkits 1.5.0C1CC(OC1COP(=O)(O)O)N2C=CC(=NC2=O)N
ACDLabs 10.04O=C1N=C(N)C=CN1C2OC(CC2)COP(=O)(O)O
FormulaC9 H14 N3 O6 P
Name2',3'-DIDEOXYCYTIDINE-5'-MONOPHOSPHATE
ChEMBLCHEMBL1232305
DrugBankDB02883
ZINCZINC000001611080
PDB chain4xus Chain P Residue 101 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4xus Nucleotide binding interactions modulate dNTP selectivity and facilitate 8-oxo-dGTP incorporation by DNA polymerase lambda.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		D490 Y505
Binding residue
(residue number reindexed from 1)		D239 Y254
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D427 D429 D490
Catalytic site (residue number reindexed from 1) D176 D178 D239
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:4xus, PDBe:4xus, PDBj:4xus
PDBsum4xus
PubMed26220180
UniProtQ9UGP5|DPOLL_HUMAN DNA polymerase lambda (Gene Name=POLL)

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