Structure of PDB 6yjn Chain A Binding Site BS01

Receptor Information
>6yjn Chain A (length=212) Species: 28450 (Burkholderia pseudomallei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PLSHLFDNNDAWVKRKLADDPQYFSRLADQQAPEYLWIGCSDSRVPANQI
IGLPPGEVFVHRNIANVVVHTDLNCLSVIQFAVDLLKVKHVMVVGHYGCS
GVNAALHNRRVGLADNWLHHVQDVREKHAALLEDWPLGEARYRRLIELNA
IEQVVNVCRTTIVNDAWARGQPLTVHALVYGVHDGRMRNLGMAVSHAEQL
DATYRRAVAALS
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 chain6yjn 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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PDB6yjn Crystal Structure of a Tetrameric Type II beta-Carbonic Anhydrase from the Pathogenic BacteriumBurkholderia pseudomallei.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		C46 D48 H102 C105
Binding residue
(residue number reindexed from 1)		C40 D42 H96 C99
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:6yjn, PDBe:6yjn, PDBj:6yjn
PDBsum6yjn
PubMed32408533
UniProtQ63Y17

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