Structure of PDB 3hl3 Chain A Binding Site BS01

Receptor Information

>3hl3 Chain A (length=246) Species: 1392 (Bacillus anthracis)

AMKGIILAGGTGSRLYPITKVTNKHLLPVGRYPMIYHAVYKLKQCDITDI
MIITGKEHMGDVVSFLGSGQEFGVSFTYRVQDKAGGIAQALGLCEDFVGN
DRMVVILGDNIFSDDIRPYVEEFTNQKEGAKVLLQSVDDPERFGVANIQN
RKIIEIEEKPKEPKSSYAVTGIYLYDSKVFSYIKELKPSARGELEITDIN
NWYLKRGVLTYNEMSGWWTDAGTHVSLQRANALARDINFGKQFNGE

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: 3hl3 Chain B Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3hl3 2.76 Angstrom Crystal Structure of a Putative Glucose-1-Phosphate Thymidylyltransferase from Bacillus anthracis in Complex with a Sucrose.
• Resolution: 2.76 Å
• Binding residue (original residue number in PDB): L106 F142 G143 E157 V168
• Binding residue (residue number reindexed from 1): L107 F143 G144 E158 V169
• Annotation score: 2

Enzymatic activity

• Enzyme Commision number: 2.7.7.24: glucose-1-phosphate thymidylyltransferase.

Gene Ontology

Molecular Function

• GO:0008879 glucose-1-phosphate thymidylyltransferase activity

Biological Process

• GO:0009058 biosynthetic process
• GO:0045226 extracellular polysaccharide biosynthetic process

External links

• PDB: RCSB:3hl3, PDBe:3hl3, PDBj:3hl3
• PDBsum: 3hl3
• UniProt: A0A6L8PCC3