Structure of PDB 4oj8 Chain B Binding Site BS03

Receptor Information

>4oj8 Chain B (length=271) Species: 555 (Pectobacterium carotovorum subsp. carotovorum)

SEIVKFNPVMASGFGAYIDHRDFLEAKTETIKNLLMRQGFVVVKNLDIDS
DTFRDIYSAYGTIVEYADEKIGVGFGYRDTLKLEGEKGKIVTGRGQLPFH
ADGGLLLSQVDQVFLYAAEIKNVKFRGATTVCDHALACQEMPAHLLRVLE
EETFEVRVLERGYYVDVSPDGWFKVPVFTDLGWVRKMLIYFPFDEGQPAS
WEPRIVGFTDHETQAFFQELGAFLKQPRYYYKHFWEDGDLLIMDNRRVIH
EREEFNDDDIVRRLYRGQTAD

Ligand information

• Ligand ID: 2TQ
• InChI: InChI=1S/C7H9NO3/c9-6-3-4-1-2-5(7(10)11)8(4)6/h4-5H,1-3H2,(H,10,11)/t4-,5-/m0/s1
• InChIKey: RJPDELAUUYAFTQ-WHFBIAKZSA-N
• SMILES:
  CACTVS 3.385: OC(=O)[C@@H]1CC[C@H]2CC(=O)N12
  OpenEye OEToolkits 1.7.6: C1CC(N2C1CC2=O)C(=O)O
  OpenEye OEToolkits 1.7.6: C1C[C@H](N2[C@@H]1CC2=O)C(=O)O
  CACTVS 3.385: OC(=O)[CH]1CC[CH]2CC(=O)N12
  ACDLabs 12.01: O=C(O)C2N1C(=O)CC1CC2
• Formula: C7 H9 N O3
• Name: (2S,5S)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
• ZINC: ZINC000014619009
• PDB chain: 4oj8 Chain B Residue 304

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4oj8 Mechanism of the C5 stereoinversion reaction in the biosynthesis of carbapenem antibiotics.
• Resolution: 2.1 Å
• Binding residue (original residue number in PDB): D103 G104 L106 L107 Y164 R267 Q269
• Binding residue (residue number reindexed from 1): D102 G103 L105 L106 Y163 R266 Q268
• Annotation score: 5

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

External links

• PDB: RCSB:4oj8, PDBe:4oj8, PDBj:4oj8
• PDBsum: 4oj8
• PubMed: 24604200
• UniProt: Q9XB59|CARC_PECCC (5R)-carbapenem-3-carboxylate synthase (Gene Name=carC)