Structure of PDB 1gvf Chain A Binding Site BS01

Receptor Information
>1gvf Chain A (length=273) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SIISTKYLLQDAQANGYAVPAFNIHNAETIQAILEVCSEMRSPVILAGTP
GTFKHIALEEIYALCSAYSTTYNMPLALHLDHHESLDDIRRKVHAGVRSA
MIDGSHFPFAENVKLVKSVVDFCHSQDCSVEAELGRLGSAFLTDPQEAKR
FVELTGVDSLAVAIGTAHGLYSKTPKIDFQRLAEIREVVDVPLVLHGASD
VPDEFVRRTIELGVTKVNVATELKIAFAGAVKAWFAENPQGNDPRYYMRV
GMDAMKEVVRNKINVCGSANRIS
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 chain1gvf Chain A Residue 287 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1gvf Structure of Tagatose-1,6-Bisphosphate Aldolase; Insight Into Chiral Discrimination, Mechanism and Specificity of Class II Aldolases
Resolution1.45 Å
Binding residue
(original residue number in PDB)		D82 H83 H180 G181 H208 G209 S211 N230 V231 A232 T233
Binding residue
(residue number reindexed from 1)		D81 H82 H168 G169 H196 G197 S199 N218 V219 A220 T221
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) D82 H83 H180 H208 N230
Catalytic site (residue number reindexed from 1) D81 H82 H168 H196 N218
Enzyme Commision number 4.1.2.40: tagatose-bisphosphate aldolase.
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0008270 zinc ion binding
GO:0009025 tagatose-bisphosphate aldolase activity
GO:0016829 lyase activity
GO:0016832 aldehyde-lyase activity
GO:0042802 identical protein binding
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0051289 protein homotetramerization
GO:2001059 D-tagatose 6-phosphate catabolic process
Cellular Component
GO:0005829 cytosol
GO:0032991 protein-containing complex
GO:1902494 catalytic complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1gvf, PDBe:1gvf, PDBj:1gvf
PDBsum1gvf
PubMed11940603
UniProtP0AB74|KBAY_ECOLI D-tagatose-1,6-bisphosphate aldolase subunit KbaY (Gene Name=kbaY)

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