Structure of PDB 1g4t Chain B

Receptor sequence

>1g4tB (length=227) Species: 1423 (Bacillus subtilis)

HHGIRMTRISREMMKELLSVYFIMGSNNTKADPVTVVQKALKGGATLYQF
REKGGDALTGEARIKFAEKAQAACREAGVPFIVNDDVELALNLKADGIHI
GQEDANAKEVRAAIGDMILGVSAHTMSEVKQAEEDGADYVGLGPIYPTET
KKDTRAVQGVSLIEAVRRQGISIPIVGIGGITIDNAAPVIQAGADGVSMI
SAISQAEDPESAARKFREEIQTYKTGR

3D structure

• PDB: 1g4t Structural characterization of the enzyme-substrate, enzyme-intermediate, and enzyme-product complexes of thiamin phosphate synthase.
• Chain: B
• Resolution: 1.55 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): R1059 S1130 K1159
• Catalytic site (residue number reindexed from 1): R51 S122 K151
• Enzyme Commision number: 2.5.1.3: thiamine phosphate synthase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	MG	B	D1093 D1112	D85 D104
BS02	FTP	B	Y1029 I1031 Q1057 R1059 H1107 S1130 Y1147 T1156 T1158 K1159 I1186 G1188 S1206 M1207 I1208 S1209	Y21 I23 Q49 R51 H99 S122 Y139 T148 T150 K151 I178 G180 S198 M199 I200 S201
BS03	POP	B	R1059 K1061 N1092 D1093 G1109 S1130 K1159	R51 K53 N84 D85 G101 S122 K151

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0004789 thiamine-phosphate diphosphorylase activity
• GO:0016740 transferase activity
• GO:0046872 metal ion binding

Biological Process

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

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:1g4t, PDBe:1g4t, PDBj:1g4t
• PDBsum: 1g4t
• PubMed: 11513589
• UniProt: P39594|THIE_BACSU Thiamine-phosphate synthase (Gene Name=thiE)