Structure of PDB 4n96 Chain A Binding Site BS02

Receptor Information
>4n96 Chain A (length=356) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKFTVEREHLLKPLQQVSPILGNLLLQVADGTLSLTGTDLEMEMVARVAL
VQPHEPGATTVPARKFFDICRGLPEGAEIAVQLEGERMLVRSGRSRFSLS
TLPAADFPNLDWQSEVEFTLPQATMKRLIEATQFSMAHQDVRYYLNGMLF
ETEGEELRTVATDGHRLAVCSMPIGQSLPSHSVIVPRKGVIELMRMLDGG
DNPLRVQIGSNNIRAHVGDFIFTSKLVDGRFPDYRRVLPKNPDKHLEAGC
DLLKQAFARAAILSNEKFRGVRLYVSENQLKITANNPEQEEAEEILDVTY
SGAEMEIGFNVSYVLDVLNALKCENVRMMLTDSVSSVQIEDAASQSAAYV
VMPMRL
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain4n96 Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4n96 Discovery of lead compounds targeting the bacterial sliding clamp using a fragment-based approach.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		G46 T47 E202
Binding residue
(residue number reindexed from 1)		G37 T38 E192
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:4n96, PDBe:4n96, PDBj:4n96
PDBsum4n96
PubMed24592885
UniProtP0A988|DPO3B_ECOLI Beta sliding clamp (Gene Name=dnaN)

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