Structure of PDB 8w06 Chain C Binding Site BS01

Receptor Information
>8w06 Chain C (length=250) Species: 32630 (synthetic construct) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MARKFFVGGNWKMNGTIESIKSLVETLNNAELDDNTEVVVAPPAIYLPLV
RQSLRKDIQVAAQNCYTKASGAFTGEISAEMLKDLGIPWVILGHSERRQI
FGESDEFVAEKTKYALDNGLKVILCIGETLEEREAGKTMDVVTRQLKAIA
DKISESDWSKVVIAYEPVWAIGTGKVATPEQAQEVHAEIRKWLAENVSAE
VAESTRIIYGGSVNGGNCKELAKQPDIDGFLVGGASLKPEFVDIINARQK
Ligand information
Ligand IDPGH
InChIInChI=1S/C2H6NO6P/c4-2(3-5)1-9-10(6,7)8/h5H,1H2,(H,3,4)(H2,6,7,8)
InChIKeyBAXHHWZKQZIJID-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)OCC(=O)NO
OpenEye OEToolkits 1.5.0C(C(=O)NO)OP(=O)(O)O
CACTVS 3.341ONC(=O)CO[P](O)(O)=O
FormulaC2 H6 N O6 P
NamePHOSPHOGLYCOLOHYDROXAMIC ACID
ChEMBLCHEMBL371668
DrugBankDB03026
ZINC
PDB chain8w06 Chain C Residue 301 [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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PDB8w06 Stable monomers in the ancestral sequence reconstruction of the last opisthokont common ancestor of dimeric triosephosphate isomerase.
Resolution2.06 Å
Binding residue
(original residue number in PDB)		K12 H94 E166 I171 G172 G211 S212 L231 G233 G234
Binding residue
(residue number reindexed from 1)		K12 H94 E166 I171 G172 G211 S212 L231 G233 G234
Annotation score1
External links