Structure of PDB 7pho Chain A Binding Site BS01

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 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
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)		P47 A48 L49 S78 G110 K111
Binding residue
(residue number reindexed from 1)		P42 A43 L44 S73 G105 K106
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

[Back to BioLiP]