Structure of PDB 8w06 Chain B Binding Site BS01

Receptor Information
>8w06 Chain B (length=251) Species: 32630 (synthetic construct) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMARKFFVGGNWKMNGTIESIKSLVETLNNAELDDNTEVVVAPPAIYLPL
VRQSLRKDIQVAAQNCYTKASGAFTGEISAEMLKDLGIPWVILGHSERRQ
IFGESDEFVAEKTKYALDNGLKVILCIGETLEEREAGKTMDVVTRQLKAI
ADKISESDWSKVVIAYEPVWAIGTGKVATPEQAQEVHAEIRKWLAENVSA
EVAESTRIIYGGSVNGGNCKELAKQPDIDGFLVGGASLKPEFVDIINARQ
K
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 B 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 S212 L231 G233 G234
Binding residue
(residue number reindexed from 1)		K13 H95 E167 I172 G173 S213 L232 G234 G235
Annotation score1
External links