Structure of PDB 1nx8 Chain B Binding Site BS02

Receptor Information
>1nx8 Chain B (length=256) Species: 554 (Pectobacterium carotovorum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SEIVKFNPVMASGFGAYIDHRDFLEAKTETIKNLLMRQGFVVVKNLDIDS
DTFRDIYSAYGTIVEYAGVGFGYRDTLKLEGEKGKIVTGRGQLPFHADGG
LLLSQVDQVFLYAAEIKNVKFRGATTVCDHALACQEMPAHLLRVLEEETF
EVRVLGWFKVPVFTDLGWVRKMLIYFPFDEGQPASWEPRIVGFTDHETQA
FFQELGAFLKQPRYYYKHFWEDGDLLIMDNRRVIHEREEFNDDDIVRRLY
RGQTAD
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 chain1nx8 Chain B Residue 281 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB1nx8 Crystal structure of carbapenem synthase (CarC).
Resolution2.3 Å
Binding residue
(original residue number in PDB)		L84 L98 H101 D103 H251 R253 R263 R267
Binding residue
(residue number reindexed from 1)		L79 L93 H96 D98 H235 R237 R247 R251
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1nx8, PDBe:1nx8, PDBj:1nx8
PDBsum1nx8
PubMed12611886
UniProtQ9XB59|CARC_PECCC (5R)-carbapenem-3-carboxylate synthase (Gene Name=carC)

[Back to BioLiP]