Structure of PDB 4hu9 Chain A Binding Site BS01

Receptor Information
>4hu9 Chain A (length=108) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SDKIIHLTDDSFDTDVLKADGAILVDFWAEWCGACKMIAAILDEIADEYQ
GKLTVAKLNIDQNAGTAAKYGIRGIPTLLLFKNGEVAATKVGALSKGQLK
EFLDANLA
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 chain4hu9 Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4hu9 (4R)- and (4S)-Fluoroproline in the Conserved cis-Prolyl Peptide Bond of the Thioredoxin Fold: Tertiary Structure Context Dictates Ring Puckering.
Resolution1.55 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:0005515 protein binding
GO:0015035 protein-disulfide reductase activity
GO:0015036 disulfide oxidoreductase activity
GO:0030337 DNA polymerase processivity factor activity
Biological Process
GO:0045454 cell redox homeostasis
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4hu9, PDBe:4hu9, PDBj:4hu9
PDBsum4hu9
PubMed23712956
UniProtP0AA25|THIO_ECOLI Thioredoxin 1 (Gene Name=trxA)

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