Structure of PDB 6yl7 Chain A Binding Site BS01

Receptor Information
>6yl7 Chain A (length=210) Species: 28450 (Burkholderia pseudomallei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SHLFDNNDAWVKRKLADDPQYFSRLADQQAPEYLWIGCSDSRVPANQIIG
LPPGEVFVHRNIANVVVHTDLNCLSVIQFAVDLLKVKHVMVVGHYGCSGV
NAALHNRRVGLADNWLHHVQDVREKHAALLEDWPLGEARYRRLIELNAIE
QVVNVCRTTIVNDAWARGQPLTVHALVYGVHDGRMRNLGMAVSHAEQLDA
TYRRAVAALS
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 chain6yl7 Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6yl7 Crystal Structure of a Tetrameric Type II beta-Carbonic Anhydrase from the Pathogenic BacteriumBurkholderia pseudomallei.
Resolution3.17 Å
Binding residue
(original residue number in PDB)		C46 D48 H102 C105
Binding residue
(residue number reindexed from 1)		C38 D40 H94 C97
Annotation score1
Enzymatic activity
Enzyme Commision number 4.2.1.1: carbonic anhydrase.
Gene Ontology
Molecular Function
GO:0004089 carbonate dehydratase activity
GO:0008270 zinc ion binding
GO:0016829 lyase activity
GO:0046872 metal ion binding
Biological Process
GO:0015976 carbon utilization

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Molecular Function
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Biological Process
External links
PDB RCSB:6yl7, PDBe:6yl7, PDBj:6yl7
PDBsum6yl7
PubMed32408533
UniProtA0A069AXA0

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