Structure of PDB 3boj Chain A Binding Site BS01

Receptor Information
>3boj Chain A (length=209) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LTPDQIVAALQERGWQAEIVTEFSLLNEMVDVDPQGILKCVDGRGSDNTQ
FCGPKMPGGIYAIAHNRGVTTLEGLKQITKEVASKGHVPSVHGDHSSDML
GCGFFKLWVTGRFDDMGYPRPQFDADQGAKAVENAGGVIEMHHGSHAEKV
VYINLVENKTLEPDEDDQRFIVDGWAAGKFGLDVPKFLIAAAATVEMLGG
PKKAKIVIP
Ligand information
Ligand IDACT
InChIInChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
InChIKeyQTBSBXVTEAMEQO-UHFFFAOYSA-M
SMILES
SoftwareSMILES
ACDLabs 10.04[O-]C(=O)C
OpenEye OEToolkits 1.5.0CC(=O)[O-]
CACTVS 3.341CC([O-])=O
FormulaC2 H3 O2
NameACETATE ION
ChEMBL
DrugBankDB14511
ZINC
PDB chain3boj Chain A Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3boj Structure and metal exchange in the cadmium carbonic anhydrase of marine diatoms.
Resolution1.45 Å
Binding residue
(original residue number in PDB)		C53 V54 P70 G71 H105 F117
Binding residue
(residue number reindexed from 1)		C40 V41 P57 G58 H92 F104
Annotation score1
Enzymatic activity
Enzyme Commision number 4.2.1.1: carbonic anhydrase.
External links