Structure of PDB 1rtw Chain C Binding Site BS01

Receptor Information
>1rtw Chain C (length=208) Species: 186497 (Pyrococcus furiosus DSM 3638) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MFSEELIKENENIWRRFLPHKFLIEMAENTIKKENFEKWLVNDYYFVKNA
LRFMALLMAKAPDDLLPFFAESIYYISKELEMFEKKAQELGISLNGEIDW
RAKSYVNYLLSVASLGSFLEGFTALYCEEKAYYEAWKWVRENLKERSPYQ
EFINHWSSQEFGEYVKRIEKILNSLAEKHGEFEKERAREVFKEVSKFELI
FWDIAYGG
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain1rtw Chain C Residue 3214 [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]
PDB1rtw The 2.35 A structure of the TenA homolog from Pyrococcus furiosus supports an enzymatic function in thiamine metabolism.
Resolution2.35 Å
Binding residue
(original residue number in PDB)		E79 E128 E129
Binding residue
(residue number reindexed from 1)		E79 E128 E129
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0006790 sulfur compound metabolic process
GO:0044281 small molecule metabolic process
GO:1901615 organic hydroxy compound metabolic process
Cellular Component
GO:0005829 cytosol

View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1rtw, PDBe:1rtw, PDBj:1rtw
PDBsum1rtw
PubMed15858269
UniProtQ8U189

[Back to BioLiP]