Structure of PDB 1tex Chain C Binding Site BS01

Receptor Information

>1tex Chain C (length=244) Species: 1772 (Mycolicibacterium smegmatis)

HPTAYLVLASQRSGSTLLVESLRATGVAGEPQEFFQYLPNTSMSPQPREW
FADVEDQSILRLLDPLIEGKPDLAPATIWRDYIQTVGRTPNGVWGGKLMW
NQTPLLVQRAKDLPDRSGSGLLSAIRDVVGSDPVLIHIHRPDVVSQAVSF
WRAVQTRVWRAEYHAGAIAHVITMLRAQEEGWRAWFTEENVEPIDVDYPY
LWRNLTEVVGTVLEALGQDPRLAPKPDEWVERYRRDAQRDGLPL

Ligand information

• Ligand ID: GLC
• InChI: InChI=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
• InChIKey: WQZGKKKJIJFFOK-DVKNGEFBSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(C(O1)O)O)O)O)O
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
  CACTVS 3.341: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  CACTVS 3.341: OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)CO
• Formula: C6 H12 O6
• Name: alpha-D-glucopyranose;
  alpha-D-glucose;
  D-glucose;
  glucose
• ChEMBL: CHEMBL423707
• ZINC: ZINC000003861213
• PDB chain: 1tex Chain G Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1tex Identification, function and structure of the mycobacterial sulfotransferase that initiates sulfolipid-1 biosynthesis.
• Resolution: 2.6 Å
• Binding residue (original residue number in PDB): Q14 E36 Q39 P48 W53 W162
• Binding residue (residue number reindexed from 1): Q11 E33 Q36 P45 W50 W159
• Annotation score: 2

Enzymatic activity

• Enzyme Commision number: 2.8.2.37: trehalose 2-sulfotransferase.

Gene Ontology

Molecular Function

• GO:0016740 transferase activity

External links

• PDB: RCSB:1tex, PDBe:1tex, PDBj:1tex
• PDBsum: 1tex
• PubMed: 15258569
• UniProt: P84151