Structure of PDB 1nx4 Chain A Binding Site BS01

Receptor Information
>1nx4 Chain A (length=247) Species: 554 (Pectobacterium carotovorum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SEIVKFNPVMASGFGAYIDHRDFLEAKTETIKNLLMRQGFVVVKNLDIDS
DTFRDIYSAYGTIVERDTLKLEGEKGKIVTGRGQLPFHADGGLLLSQVDQ
VFLYAAEIKNVKFRGATTVCDHALACQEMPAHLLRVLEEETFEVRVLWFK
VPVFTDLGWVRKMLIYFPFDEGQPASWEPRIVGFTDHETQAFFQELGAFL
KQPRYYYKHFWEDGDLLIMDNRRVIHEREEFNDDDIVRRLYRGQTAD
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain1nx4 Chain A Residue 300 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1nx4 Crystal structure of carbapenem synthase (CarC).
Resolution2.4 Å
Binding residue
(original residue number in PDB)		H101 D103 H251
Binding residue
(residue number reindexed from 1)		H88 D90 H226
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:1nx4, PDBe:1nx4, PDBj:1nx4
PDBsum1nx4
PubMed12611886
UniProtQ9XB59|CARC_PECCC (5R)-carbapenem-3-carboxylate synthase (Gene Name=carC)

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