Structure of PDB 4oj8 Chain B Binding Site BS01

Receptor Information
>4oj8 Chain B (length=271) Species: 555 (Pectobacterium carotovorum subsp. carotovorum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SEIVKFNPVMASGFGAYIDHRDFLEAKTETIKNLLMRQGFVVVKNLDIDS
DTFRDIYSAYGTIVEYADEKIGVGFGYRDTLKLEGEKGKIVTGRGQLPFH
ADGGLLLSQVDQVFLYAAEIKNVKFRGATTVCDHALACQEMPAHLLRVLE
EETFEVRVLERGYYVDVSPDGWFKVPVFTDLGWVRKMLIYFPFDEGQPAS
WEPRIVGFTDHETQAFFQELGAFLKQPRYYYKHFWEDGDLLIMDNRRVIH
EREEFNDDDIVRRLYRGQTAD
Ligand information
Ligand IDFE2
InChIInChI=1S/Fe/q+2
InChIKeyCWYNVVGOOAEACU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Fe+2]
CACTVS 3.341[Fe++]
FormulaFe
NameFE (II) ION
ChEMBL
DrugBankDB14510
ZINC
PDB chain4oj8 Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4oj8 Mechanism of the C5 stereoinversion reaction in the biosynthesis of carbapenem antibiotics.
Resolution2.1 Å
Binding residue
(original residue number in PDB)
H101 D103 H251
Binding residue
(residue number reindexed from 1)
H100 D102 H250
Annotation score1
Enzymatic activity
Enzyme Commision number 1.14.20.3: (5R)-carbapenem-3-carboxylate synthase.
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity
Biological Process
GO:0017000 antibiotic biosynthetic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function

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Biological Process

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Cellular Component
External links
PDB RCSB:4oj8, PDBe:4oj8, PDBj:4oj8
PDBsum4oj8
PubMed24604200
UniProtQ9XB59|CARC_PECCC (5R)-carbapenem-3-carboxylate synthase (Gene Name=carC)

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