Structure of PDB 2xbq Chain A Binding Site BS01

Receptor Information
>2xbq Chain A (length=105) Species: 6183 (Schistosoma mansoni) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SELIELKQDGDLESLLEQHKNKLVVVDFFATWCGPCKTIAPLFKELSEKY
DAIFVKVDVDKLEETARKYNISAMPTFIAIKNGEKVGDVVGASIAKVEDM
IKKFI
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 chain2xbq Chain A Residue 1107 [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]
PDB2xbq Structural and Functional Characterization of Schistosoma Mansoni Thioredoxin.
Resolution1.67 Å
Binding residue
(original residue number in PDB)		E3 H20
Binding residue
(residue number reindexed from 1)		E2 H19
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C34 G35 P36 C37
Catalytic site (residue number reindexed from 1) C33 G34 P35 C36
Enzyme Commision number 1.8.1.8: protein-disulfide reductase.
Gene Ontology
Molecular Function
GO:0015035 protein-disulfide reductase activity
GO:0046872 metal ion binding
Cellular Component
GO:0005829 cytosol

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:2xbq, PDBe:2xbq, PDBj:2xbq
PDBsum2xbq
PubMed21465612
UniProtQ8T9N5

[Back to BioLiP]