Structure of PDB 1kfs Chain A Binding Site BS02

Receptor Information
>1kfs Chain A (length=601) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MISYDNYVTILDEETLKAWIAKLEKAPVFAFDTETDSLDNISANLVGLSF
AIEPGVAAYIPVAHDYLDAPDQISRERALELLKPLLEDEKALKVGQNLKY
DRGILANYGIELRGIAFDTMLESYILNSVAGRHDMDSLAERWLKHKTITF
EEIAGKGKNQLTFNQIALEEAGRYAAEDADVTLQLHLKMWPDLQKHKGPL
NVFENIEMPLVPVLSRIERNGVKIDPKVLHNHSEELTLRLAELEKKAHEI
AGEEFNLSSTKQLQTILFEKQGIKPLKKTPSTSEEVLEELALDYPLPKVI
LEYRGLAKLKSTYTDKLPLMINPKTGRVHTSYHQAVTATGRLSSTDPNLQ
NIPVRNEEGRRIRQAFIAPEDYVIVSADYSQIELRIMAHLSRDKGLLTAF
AEGKDIHRATAAEVFGLPLETVTSEQRRSAKAINFGLIYGMSAFGLARQL
NIPRKEAQKYMDLYFERYPGVLEYMERTRAQAKEQGYVETLDGRRLYLPD
IKSSNGARRAAAERAAINAPMQGTAADIIKRAMIAVDAWLQAEQPRVRMI
MQVHDELVFEVHKDDVDAVAKQIHQLMENCTRLDVPLLVEVGSGENWDQA
H
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain1kfs Chain A Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1kfs Structural principles for the inhibition of the 3'-5' exonuclease activity of Escherichia coli DNA polymerase I by phosphorothioates.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		D355 E357 D501
Binding residue
(residue number reindexed from 1)		D32 E34 D178
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.7: DNA-directed DNA polymerase.
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
GO:0003677 DNA binding
GO:0003887 DNA-directed DNA polymerase activity
GO:0008408 3'-5' exonuclease activity
Biological Process
GO:0006139 nucleobase-containing compound metabolic process
GO:0006260 DNA replication
GO:0006261 DNA-templated DNA replication

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Molecular Function
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Biological Process
External links
PDB RCSB:1kfs, PDBe:1kfs, PDBj:1kfs
PDBsum1kfs
PubMed9514742
UniProtP00582|DPO1_ECOLI DNA polymerase I (Gene Name=polA)

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