Structure of PDB 1tho Chain A Binding Site BS01

Receptor Information
>1tho Chain A (length=109) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SDKIIHLTDDSFDTDVLKADGAILVDFWAEWCGRPCKMIAPILDEIADEY
QGKLTVAKLNIDQNPGTAPKYGIRGIPTLLLFKNGEVAATKVGALSKGQL
KEFLDANLA
Ligand information
Ligand IDCU
InChIInChI=1S/Cu/q+2
InChIKeyJPVYNHNXODAKFH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Cu+2]
CACTVS 3.341[Cu++]
FormulaCu
NameCOPPER (II) ION
ChEMBL
DrugBankDB14552
ZINC
PDB chain1tho Chain A Residue 109 [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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PDB1tho The Refined Structure of E. Coli Thioredoxin
Resolution2.3 Å
Binding residue
(original residue number in PDB)		S1 D2
Binding residue
(residue number reindexed from 1)		S1 D2
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015035 protein-disulfide reductase activity

View graph for
Molecular Function
External links
PDB RCSB:1tho, PDBe:1tho, PDBj:1tho
PDBsum1tho
PubMed
UniProtP0AA25|THIO_ECOLI Thioredoxin 1 (Gene Name=trxA)

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