Structure of PDB 3boh Chain B Binding Site BS02

Receptor Information
>3boh Chain B (length=213) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SHMSLTPDQIVAALQERGWQAEIVTEFSLLNEMVDVDPQGILKCVDGRGS
DNTQFCGPKMPGGIYAIAHNRGVTTLEGLKQITKEVASKGHVPSVHGDHS
SDMLGCGFFKLWVTGRFDDMGYPRPQFDADQGAKAVENAGGVIEMHHGSH
AEKVVYINLVENKTLEPDEDDQRFIVDGWAAGKFGLDVPKFLIAAAATVE
MLGGPKKAKIVIP
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 chain3boh Chain B Residue 1002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3boh Structure and metal exchange in the cadmium carbonic anhydrase of marine diatoms.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		C53 G116 F117 L211
Binding residue
(residue number reindexed from 1)		C44 G107 F108 L202
Annotation score1
Enzymatic activity
Enzyme Commision number 4.2.1.1: carbonic anhydrase.
External links