Structure of PDB 1nx8 Chain B Binding Site BS03

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 IDN7P
InChIInChI=1S/C7H11NO3/c1-5(9)8-4-2-3-6(8)7(10)11/h6H,2-4H2,1H3,(H,10,11)/t6-/m0/s1
InChIKeyGNMSLDIYJOSUSW-LURJTMIESA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC(=O)N1CCC[CH]1C(O)=O
CACTVS 3.385CC(=O)N1CCC[C@H]1C(O)=O
ACDLabs 12.01OC(=O)C1N(C(=O)C)CCC1
OpenEye OEToolkits 2.0.5CC(=O)N1CCC[C@H]1C(=O)O
OpenEye OEToolkits 2.0.5CC(=O)N1CCCC1C(=O)O
FormulaC7 H11 N O3
Name1-ACETYL-L-PROLINE;
N-ACETYLPROLINE
ChEMBLCHEMBL1234599
DrugBankDB03360
ZINCZINC000000119664
PDB chain1nx8 Chain B Residue 290 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1nx8 Crystal structure of carbapenem synthase (CarC).
Resolution2.3 Å
Binding residue
(original residue number in PDB)		H101 D103 G104 W202 R267 Q269
Binding residue
(residue number reindexed from 1)		H96 D98 G99 W186 R251 Q253
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:1nx8, PDBe:1nx8, PDBj:1nx8
PDBsum1nx8
PubMed12611886
UniProtQ9XB59|CARC_PECCC (5R)-carbapenem-3-carboxylate synthase (Gene Name=carC)

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