Structure of PDB 2xc2 Chain A Binding Site BS01

Receptor Information
>2xc2 Chain A (length=110) Species: 6183 (Schistosoma mansoni) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QLVIMSELIELKQDGDLESLLEQHKNKLVVVDFFATWCGPCKTIAPLFKE
LSEKYDAIFVKVDVDKLEETARKYNISAMPTFIAIKNGEKVGDVVGASIA
KVEDMIKKFI
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain2xc2 Chain A Residue 1107 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2xc2 Structural and Functional Characterization of Schistosoma Mansoni Thioredoxin.
Resolution1.56 Å
Binding residue
(original residue number in PDB)		E46 E49
Binding residue
(residue number reindexed from 1)		E50 E53
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C34 G35 P36 C37
Catalytic site (residue number reindexed from 1) C38 G39 P40 C41
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

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Molecular Function
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Cellular Component
External links
PDB RCSB:2xc2, PDBe:2xc2, PDBj:2xc2
PDBsum2xc2
PubMed21465612
UniProtQ8T9N5

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