Structure of PDB 4n95 Chain A Binding Site BS01

Receptor Information
>4n95 Chain A (length=359) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKFTVEREHLLKPLQQVSGPLPILGNLLLQVADGTLSLTGTDLEMEMVAR
VALVQPHEPGATTVPARKFFDICRGLPEGAEIAVQLEGERMLVRSGRSRF
SLSTLPAADFPNLDDWQSEVEFTLPQATMKRLIEATQFSMAHQDVRYYLN
GMLFETEGEELRTVATDGHRLAVCSMPIGQSLPSHSVIVPRKGVIELMRM
LDGGDNPLRVQIGSNNIRAHVGDFIFTSKLVDGRFPDYRRVLPKNPDKHL
EAGCDLLKQAFARAAILSNEKFRGVRLYVSENQLKITANNPEQEEAEEIL
DVTYSGAEMEIGFNVSYVLDVLNALKCENVRMMLTDSVSSVQIEDAASQS
AAYVVMPMR
Ligand information
Ligand ID2HQ
InChIInChI=1S/C8H4ClNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3H,(H,10,11,12)
InChIKeyXHDJYQWGFIBCEP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Clc1ccc2NC(=O)C(=O)c2c1
OpenEye OEToolkits 1.7.6c1cc2c(cc1Cl)C(=O)C(=O)N2
ACDLabs 12.01Clc1cc2c(cc1)NC(=O)C2=O
FormulaC8 H4 Cl N O2
Name5-chloro-1H-indole-2,3-dione
ChEMBLCHEMBL327012
DrugBank
ZINCZINC000001722141
PDB chain4n95 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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PDB4n95 Discovery of lead compounds targeting the bacterial sliding clamp using a fragment-based approach.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		T172 G174 H175 R176 V247
Binding residue
(residue number reindexed from 1)		T166 G168 H169 R170 V241
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:4n95, PDBe:4n95, PDBj:4n95
PDBsum4n95
PubMed24592885
UniProtP0A988|DPO3B_ECOLI Beta sliding clamp (Gene Name=dnaN)

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