Structure of PDB 4n97 Chain A Binding Site BS01

Receptor Information
>4n97 Chain A (length=361) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKFTVEREHLLKPLQQVSGPTLPILGNLLLQVADGTLSLTGTDLEMEMVA
RVALVQPHEPGATTVPARKFFDICRGLPEGAEIAVQLEGERMLVRSGRSR
FSLSTLPAADFPNLDDWQSEVEFTLPQATMKRLIEATQFSMAHQDVRYYL
NGMLFETEGEELRTVATDGHRLAVCSMPIGQSLPSHSVIVPRKGVIELMR
MLDGGDNPLRVQIGSNNIRAHVGDFIFTSKLVDGRFPDYRRVLPKNPDKH
LEAGCDLLKQAFARAAILSNEKFRGVRLYVSENQLKITANNPEQEEAEEI
LDVTYSGAEMEIGFNVSYVLDVLNALKCENVRMMLTDSVSSVQIEDAASQ
SAAYVVMPMRL
Ligand information
Ligand ID2HU
InChIInChI=1S/C8H6N2O2/c11-10(12)7-1-2-8-6(5-7)3-4-9-8/h1-5,9H
InChIKeyOZFPSOBLQZPIAV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385[O-][N+](=O)c1ccc2[nH]ccc2c1
ACDLabs 12.01[O-][N+](=O)c1cc2c(cc1)ncc2
OpenEye OEToolkits 1.7.6c1cc2c(cc[nH]2)cc1[N+](=O)[O-]
FormulaC8 H6 N2 O2
Name5-nitro-1H-indole
ChEMBLCHEMBL164651
DrugBank
ZINCZINC000000105247
PDB chain4n97 Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4n97 Discovery of lead compounds targeting the bacterial sliding clamp using a fragment-based approach.
Resolution1.97 Å
Binding residue
(original residue number in PDB)		G174 V247
Binding residue
(residue number reindexed from 1)		G169 V242
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.7: DNA-directed DNA polymerase.
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003887 DNA-directed DNA polymerase activity
GO:0005515 protein binding
GO:0008408 3'-5' exonuclease activity
GO:0042802 identical protein binding
GO:0042803 protein homodimerization activity
Biological Process
GO:0006260 DNA replication
GO:0006261 DNA-templated DNA replication
GO:0006271 DNA strand elongation involved in DNA replication
GO:0006974 DNA damage response
GO:0030174 regulation of DNA-templated DNA replication initiation
GO:0032297 negative regulation of DNA-templated DNA replication initiation
GO:0042276 error-prone translesion synthesis
GO:0044787 bacterial-type DNA replication
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0009360 DNA polymerase III complex
GO:0030894 replisome
GO:1990078 replication inhibiting complex
GO:1990085 Hda-beta clamp complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4n97, PDBe:4n97, PDBj:4n97
PDBsum4n97
PubMed24592885
UniProtP0A988|DPO3B_ECOLI Beta sliding clamp (Gene Name=dnaN)

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