Structure of PDB 3tio Chain B Binding Site BS01

Receptor Information
>3tio Chain B (length=170) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DVLHPYRDLFPQIGQRVMIDDSSVVIGDVRLADDVGIWPLVVIRGDVHYV
QIGARTNIQDGSMLHVTHKSNPLTIGEDVTVGHKVMLHGCTIGNRVLVGM
GSILLDGAIVEDDVMIGAGSLVPQNKRLESGYLYLGSPVKQIRPLSDEEK
AGLRYSANNYVKWKDEYLDQ
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 chain3tio Chain B Residue 185 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB3tio Structures of the gamma-class carbonic anhydrase homologue YrdA suggest a possible allosteric switch
Resolution1.41 Å
Binding residue
(original residue number in PDB)		H67 H70 H96
Binding residue
(residue number reindexed from 1)		H65 H68 H88
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) V49 Q61 H70
Catalytic site (residue number reindexed from 1) V47 Q59 H68
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008270 zinc ion binding
GO:0042802 identical protein binding
Cellular Component
GO:0005829 cytosol
GO:0032991 protein-containing complex

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:3tio, PDBe:3tio, PDBj:3tio
PDBsum3tio
PubMed22868757
UniProtP0A9W9|YRDA_ECOLI Protein YrdA (Gene Name=yrdA)

[Back to BioLiP]