Structure of PDB 4fua Chain A Binding Site BS02

Receptor Information
>4fua Chain A (length=206) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MERNKLARQIIDTCLEMTRLGLNQGTAGNVSVRYQDGMLITPTGIPYEKL
TESHIVFIDGNGKHEEGKLPSSEWRFHMAAYQSRPDANAVVHNHAVHCTA
VSILNRSIPAIHYMIAAAGGNSIPCAPYATFGTRELSEHVALALKNRKAT
LLQHHGLIACEVNLEKALWLAHEVEVLAQLYLTTLAITDPVPVLSDEEIA
VVLEKF
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 chain4fua Chain A Residue 217 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4fua Catalytic mechanism of the metal-dependent fuculose aldolase from Escherichia coli as derived from the structure.
Resolution2.43 Å
Binding residue
(original residue number in PDB)		G28 N29 T43 S71 S72 E73 H92 H94 H155
Binding residue
(residue number reindexed from 1)		G28 N29 T43 S71 S72 E73 H92 H94 H155
Annotation score2
Binding affinityMOAD: Ki=4uM
Enzymatic activity
Catalytic site (original residue number in PDB) E73 H92 H94 Y113 A117 H155
Catalytic site (residue number reindexed from 1) E73 H92 H94 Y113 A117 H155
Enzyme Commision number 4.1.2.17: L-fuculose-phosphate aldolase.
Gene Ontology
Molecular Function
GO:0008270 zinc ion binding
GO:0008738 L-fuculose-phosphate aldolase activity
GO:0016829 lyase activity
GO:0016830 carbon-carbon lyase activity
GO:0016832 aldehyde-lyase activity
GO:0046872 metal ion binding
Biological Process
GO:0005996 monosaccharide metabolic process
GO:0006004 fucose metabolic process
GO:0019317 fucose catabolic process
GO:0019323 pentose catabolic process
GO:0019568 arabinose catabolic process
GO:0019571 D-arabinose catabolic process
GO:0042355 L-fucose catabolic process
Cellular Component
GO:0005829 cytosol

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Biological Process
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Cellular Component
External links
PDB RCSB:4fua, PDBe:4fua, PDBj:4fua
PDBsum4fua
PubMed8676381
UniProtP0AB87|FUCA_ECOLI L-fuculose phosphate aldolase (Gene Name=fucA)

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