Structure of PDB 5tt3 Chain B Binding Site BS01

Receptor Information
>5tt3 Chain B (length=212) Species: 85962 (Helicobacter pylori 26695) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KWDYKNHRWDKLHKDFEVCKSGKSQSPINIEHYYHTQDKADLQFKYAASK
PKAVFFHTLKASFEPTNHINYRGHDYVLDNVHFHAPMEFLINNKTRPLSA
HFVHKDAKGRLLVLAIGFEEGKENPNLDPILNFKEVALDAFLPKSINYYH
FNGSLTAPPCTEGVAWFVIEEPLEVSAKQLAEIKKRMKNSPNQRPVQPDY
NTVIIKSSAETR
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 chain5tt3 Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5tt3 Structure-Activity Relationship for Sulfonamide Inhibition of Helicobacter pylori alpha-Carbonic Anhydrase.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		H110 H112 H129
Binding residue
(residue number reindexed from 1)		H82 H84 H101
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H85 H110 H112 E116 H129 T191
Catalytic site (residue number reindexed from 1) H57 H82 H84 E88 H101 T156
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:5tt3, PDBe:5tt3, PDBj:5tt3
PDBsum5tt3
PubMed28002963
UniProtA0A0M3KL20

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