Structure of PDB 3kwc Chain A Binding Site BS01

Receptor Information
>3kwc Chain A (length=205) Species: 197221 (Thermosynechococcus vestitus BP-1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QSYAAPPTPWSRDLAEPEIAPTAYVHSFSNLIGDVRIKDYVHIAPGTSIR
ADEGTPFHIGSRTNIQDGVVIHGLQQGRVIGDDGQEYSVWIGDNVSITHM
ALIHGPAYIGDGCFIGFRSTVFNARVGAGCVVMMHVLIQDVEIPPGKYVP
SGMVITTQQQADRLPNVEESDIHFAQHVVGINEALLSGYQCAENIACIAP
IRNEL
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 chain3kwc Chain A Residue 300 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB3kwc Structural basis of the oxidative activation of the carboxysomal {gamma}-carbonic anhydrase, CcmM.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		H75 H107
Binding residue
(residue number reindexed from 1)		H72 H104
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E56 Q69 H75 Q78 H102 H107 N185
Catalytic site (residue number reindexed from 1) E53 Q66 H72 Q75 H99 H104 N182
Enzyme Commision number 4.2.1.1: carbonic anhydrase.
External links
PDB RCSB:3kwc, PDBe:3kwc, PDBj:3kwc
PDBsum3kwc
PubMed20133749
UniProtQ8DKB5|CCMM_THEVB Carboxysome assembly protein CcmM (Gene Name=ccmM)

[Back to BioLiP]