Structure of PDB 1rtw Chain D Binding Site BS01

Receptor Information
>1rtw Chain D (length=206) 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
FWDIAY
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 D Residue 4214 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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)		I76 E79 E128 E129
Binding residue
(residue number reindexed from 1)		I76 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

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

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