Structure of PDB 7pho Chain A Binding Site BS03

Receptor Information
>7pho Chain A (length=300) Species: 1122247 (Mycolicibacterium hassiacum DSM 44199) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DLTATDLARHRWLTDNSWTRPTWTVAELEAAKAGRTISVVLPALNEEETV
GGVVETIRPLLGGLVDELIVLDSGSTDDTEIRAMAAGARVISREVALPEV
APQPGKGEVLWRSLAATTGDIIVFIDSDLIDPDPMFVPKLVGPLLLSEGV
HLVKGFYRRPLKGGRVTELVARPLLAALRPELTCVLQPLGGEYAGTRELL
MSVPFAPGYGVEIGLLVDTYDRLGLDAIAQVNLGVRAHRNRPLTDLAAMS
RQVIATLFSRCGVPDSGVGLTQFFADGDGFSPRTSEVSLVDRPPMNTLRG
Ligand information
Ligand IDHBA
InChIInChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H
InChIKeyRGHHSNMVTDWUBI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1C=O)O
CACTVS 3.341Oc1ccc(C=O)cc1
ACDLabs 10.04O=Cc1ccc(O)cc1
FormulaC7 H6 O2
NameP-HYDROXYBENZALDEHYDE
ChEMBLCHEMBL14193
DrugBankDB03560
ZINCZINC000000156709
PDB chain7pho Chain A Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7pho Crystal structure of Mycobacterium hassiacum glucosyl-3-phosphoglycerate synthase at pH 7.1 in complex with 4-hydroxybenzaldehyde
Resolution1.27 Å
Binding residue
(original residue number in PDB)		R236 L237 G238
Binding residue
(residue number reindexed from 1)		R222 L223 G224
Annotation score1
Enzymatic activity
Enzyme Commision number 2.4.1.266: glucosyl-3-phosphoglycerate synthase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016757 glycosyltransferase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:7pho, PDBe:7pho, PDBj:7pho
PDBsum7pho
PubMed
UniProtK5B7Z4

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