Structure of PDB 1nx4 Chain A Binding Site BS02

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 IDAKG
InChIInChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)
InChIKeyKPGXRSRHYNQIFN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(=O)CCC(=O)O
OpenEye OEToolkits 1.7.6C(CC(=O)O)C(=O)C(=O)O
CACTVS 3.385OC(=O)CCC(=O)C(O)=O
FormulaC5 H6 O5
Name2-OXOGLUTARIC ACID
ChEMBLCHEMBL1686
DrugBankDB08845
ZINCZINC000001532519
PDB chain1nx4 Chain A Residue 280 [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)		L98 H101 D103 L116 H251 R253 R263 R267
Binding residue
(residue number reindexed from 1)		L85 H88 D90 L103 H226 R228 R238 R242
Annotation score5
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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