Structure of PDB 1tyg Chain C Binding Site BS01

Receptor Information

>1tyg Chain C (length=237) Species: 1423 (Bacillus subtilis)

MLTIGGKSFQSRLLLGTGKYPSFDIQKEAVAVSESDILTFAFEASQPNFL
EQLDLSKYTLLPNTAGASTAEEAVRIARLAKASGLCDMIKVEVIGCSRSL
LPDPVETLKASEQLLEEGFIVLPYTSDDVVLARKLEELGVHAIMPGASPI
GSGQGILNPLNLSFIIEQAKVPVIVDAGIGSPKDAAYAMELGADGVLLNT
AVSGADDPVKMARAMKLAVEAGRLSYEAGRIPLKQYG

Ligand information

• Ligand ID: PO4
• InChI: InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
• InChIKey: NBIIXXVUZAFLBC-UHFFFAOYSA-K
• SMILES:
  CACTVS 3.341: [O-][P]([O-])([O-])=O
  ACDLabs 10.04: [O-]P([O-])([O-])=O
  OpenEye OEToolkits 1.5.0: [O-]P(=O)([O-])[O-]
• Formula: O4 P
• Name: PHOSPHATE ION
• DrugBank: DB14523
• PDB chain: 1tyg Chain C Residue 2400

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1tyg Thiamin Biosynthesis in Bacillus subtilis: Structure of the Thiazole Synthase/Sulfur Carrier Protein Complex
• Resolution: 3.15 Å
• Binding residue (original residue number in PDB): I258 A285 G286 N307 T308
• Binding residue (residue number reindexed from 1): I150 A177 G178 N199 T200
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.8.1.10: thiazole synthase.

Gene Ontology

Molecular Function

• GO:0016740 transferase activity
• GO:0016783 sulfurtransferase activity
• GO:1990107 thiazole synthase activity

Biological Process

• GO:0009228 thiamine biosynthetic process
• GO:0009229 thiamine diphosphate biosynthetic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:1tyg, PDBe:1tyg, PDBj:1tyg
• PDBsum: 1tyg
• PubMed: 15362849
• UniProt: O31618|THIG_BACSU Thiazole synthase (Gene Name=thiG)