Structure of PDB 1ylk Chain C Binding Site BS01

Receptor Information
>1ylk Chain C (length=163) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKE
GEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDD
FKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFV
FDVATGKLNEVTP
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 chain1ylk Chain C Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ylk Structure and function of carbonic anhydrases from Mycobacterium tuberculosis.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		C35 H88 C91
Binding residue
(residue number reindexed from 1)		C35 H88 C91
Annotation score1
Enzymatic activity
Enzyme Commision number 4.2.1.1: carbonic anhydrase.
Gene Ontology
Molecular Function
GO:0004089 carbonate dehydratase activity
GO:0005515 protein binding
GO:0008270 zinc ion binding
GO:0016829 lyase activity
GO:0046872 metal ion binding
Cellular Component
GO:0005886 plasma membrane

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:1ylk, PDBe:1ylk, PDBj:1ylk
PDBsum1ylk
PubMed15753099
UniProtP9WPJ7|MTCA1_MYCTU Beta-carbonic anhydrase 1 (Gene Name=mtcA1)

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