Structure of PDB 1iug Chain B Binding Site BS01

Receptor Information
>1iug Chain B (length=348) Species: 274 (Thermus thermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DWLLTPGPVRLHPKALEALARPQLHHRTEAAREVFLKARGLLREAFRTEG
EVLILTGSGTLAMEALVKNLFAPGERVLVPVYGKFSERFYEIALEAGLVV
ERLDYPYGDTPRPEDVAKEGYAGLLLVHSETSTGALADLPALARAFKEKN
PEGLVGADMVTSLLVGEVALEAMGVDAAASGSQKGLMCPPGLGFVALSPR
ALERLKPRGYYLDLARELKAQKEGESAWTPAINLVLAVAAVLEEVLPRLE
EHLALKAWQNALLYGVGEEGGLRPVPKRFSPAVAAFYLPEGVPYARVKEA
FAQRGAVIAGGQGPLKGKVFRLSLMGAYDRYEALGVAGMFREVLEEIL
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 chain1iug Chain B Residue 3694 [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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PDB1iug Crystal structure of a putative aspartate aminotransferase belonging to subgroup IV.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		F86 R89 X185
Binding residue
(residue number reindexed from 1)		F85 R88 X184
Annotation score1
Enzymatic activity
Enzyme Commision number 2.6.1.1: aspartate transaminase.
Gene Ontology
Molecular Function
GO:0004069 L-aspartate:2-oxoglutarate aminotransferase activity

View graph for
Molecular Function
External links
PDB RCSB:1iug, PDBe:1iug, PDBj:1iug
PDBsum1iug
PubMed15103612
UniProtP83786

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