Structure of PDB 7p8g Chain A Binding Site BS01

Receptor Information
>7p8g Chain A (length=303) Species: 1122247 (Mycolicibacterium hassiacum DSM 44199) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TLVPDLTATDLARHRWLTDNSWTRPTWTVAELEAAKAGRTISVVLPALNE
EETVGGVVETIRPLLGGLVDELIVLDSGSTDDTEIRAMAAGARVISREVA
LPEVAPQPGKGEVLWRSLAATTGDIIVFIDSDLIDPDPMFVPKLVGPLLL
SEGVHLVKGFYRRPLGGRVTELVARPLLAALRPELTCVLQPLGGEYAGTR
ELLMSVPFAPGYGVEIGLLVDTYDRLGLDAIAQVNLGVRAHRNRPLTDLA
AMSRQVIATLFSRCGVPDSGVGLTQFFSPRTSEVSLVDRPPMNTLRGKLA
AAL
Ligand information
Ligand IDBGC
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1
InChIKeyWQZGKKKJIJFFOK-VFUOTHLCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-glucopyranose;
beta-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL1614854
DrugBankDB02379
ZINCZINC000003833800
PDB chain7p8g Chain A Residue 402 [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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PDB7p8g Crystal structure of Mycobacterium hassiacum glucosyl-3-phosphoglycerate synthase at pH 5.5 - apo form
Resolution2.13 Å
Binding residue
(original residue number in PDB)		D131 L203 G205 Y223 E226 M263
Binding residue
(residue number reindexed from 1)		D130 L192 G194 Y212 E215 M252
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:7p8g, PDBe:7p8g, PDBj:7p8g
PDBsum7p8g
PubMed
UniProtK5B7Z4

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