Structure of PDB 4yha Chain A Binding Site BS01

Receptor Information
>4yha Chain A (length=225) Species: 85962 (Helicobacter pylori 26695) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TKWDYKNKENGPHRWDKLHKDFEVCKSGKSQSPINIEHYYHTQDKADLQF
KYAASKPKAVFFTHHTLKASFEPTNHINYRGHDYVLDNVHFHAPMEFLIN
NKTRPLSAHFVHKDAKGRLLVLAIGFEEGKENPNLDPILEGIQKKFKEVA
LDAFLPKSINYYHFNGSLTAPPCTEGVAWFVIEEPLEVSAKQLAEIKKRM
KNSPNQRPVQPDYNTVIIKSSAETR
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 chain4yha Chain A Residue 301 [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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PDB4yha Structural Basis for the Inhibition of Helicobacter pylori alpha-Carbonic Anhydrase by Sulfonamides.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		H110 H112 H129
Binding residue
(residue number reindexed from 1)		H90 H92 H109
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H85 H110 H112 E116 H129 T191
Catalytic site (residue number reindexed from 1) H65 H90 H92 E96 H109 T169
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004089 carbonate dehydratase activity
GO:0008270 zinc ion binding
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:4yha, PDBe:4yha, PDBj:4yha
PDBsum4yha
PubMed26010545
UniProtA0A0M3KL20

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