Structure of PDB 3kwe Chain A Binding Site BS01

Receptor Information
>3kwe Chain A (length=166) Species: 197221 (Thermosynechococcus vestitus BP-1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LAEPEIAPTAYVHSFSNLIGDVRIKDYVHIAPGTSIRADEGTPFHIGSRT
NIQDGVVIHGLQQGRVIGDDGQEYSVWIGDNVSITHMALIHGPAYIGDGC
FIGFRSTVFNARVGAGCVVMMHVLIQDVEIPPGKYVPSGMVITTQQQADR
LPNVEESDIHFAQHVV
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain3kwe Chain A Residue 194 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3kwe Structural basis of the oxidative activation of the carboxysomal {gamma}-carbonic anhydrase, CcmM.
Resolution1.1 Å
Binding residue
(original residue number in PDB)		H75 H107
Binding residue
(residue number reindexed from 1)		H59 H91
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E56 Q69 H75 Q78 H102 H107
Catalytic site (residue number reindexed from 1) E40 Q53 H59 Q62 H86 H91
Enzyme Commision number 4.2.1.1: carbonic anhydrase.
External links
PDB RCSB:3kwe, PDBe:3kwe, PDBj:3kwe
PDBsum3kwe
PubMed20133749
UniProtQ8DKB5|CCMM_THEVB Carboxysome assembly protein CcmM (Gene Name=ccmM)

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