Structure of PDB 1toa Chain B Binding Site BS01

Receptor Information
>1toa Chain B (length=277) Species: 160 (Treponema pallidum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GKPLVVTTIGMIADAVKNIAQGDVHLKGLMGPGVDPHLYTATAGDVEWLG
NADLILYNGLHLETKMGEVFSKLRGSRLVVAVSETIPVSQRLSLEEAEFD
PHVWFDVKLWSYSVKAVYESLCKLLPGKTREFTQRYQAYQQQLDKLDAYV
RRKAQSLPAERRVLVTAHDAFGYFSRAYGFEVKGLQGVSTASEASAHDMQ
ELAAFIAQRKLPAIFIESSIPHKNVEALRDAVQARGHVVQIGGELFSDAM
GDAGTSEGTYVGMVTHNIDTIVAALAR
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 chain1toa Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1toa Treponema pallidum TroA is a periplasmic zinc-binding protein with a helical backbone.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		H68 H133 H199 D279
Binding residue
(residue number reindexed from 1)		H37 H102 H168 D248
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
Biological Process
GO:0007155 cell adhesion
GO:0030001 metal ion transport

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Molecular Function
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Biological Process
External links
PDB RCSB:1toa, PDBe:1toa, PDBj:1toa
PDBsum1toa
PubMed10404217
UniProtP96116|TROA_TREPA Zinc-binding protein TroA (Gene Name=troA)

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