Structure of PDB 4gej Chain F Binding Site BS01

Receptor Information
>4gej Chain F (length=136) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KSFEVVFNDPEKVYGSGERVAGRVIVEVSEVTRVKAVRILASGVAKVLWM
QGSQQCKQTSEYLRYEDTLLLEDEMVIMRPGNKYEYKFGFELPQGPLGTS
FKGKYGSVDYWVKAFLDRPSQPTQETKKNFEVVDLV
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 chain4gej Chain A Residue 201 [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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PDB4gej Structure of the N-terminal domain of human thioredoxin-interacting protein.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		D74 T75
Binding residue
(residue number reindexed from 1)		D67 T68
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:4gej, PDBe:4gej, PDBj:4gej
PDBsum4gej
PubMed23519408
UniProtQ9H3M7|TXNIP_HUMAN Thioredoxin-interacting protein (Gene Name=TXNIP)

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