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Structure of the thiazole SYNTHASE/THIS complex

Analyse Structure of the thiazole SYNTHASE/THIS complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 1TYG
Type: protein
Length: 608 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Yjbs; Thiazole biosynthesis protein thig
UniProt: O31617, O31618
Ligands: PO4
Pockets: 8 · best druggability 0.67

Structure

x-ray diffraction · 4 distinct chains · 34% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
B	Yjbs	protein	65	15% helix, 34% strand	O31617
A	Thiazole biosynthesis protein thig	protein	242	39% helix, 17% strand	O31618
C	Thiazole biosynthesis protein thig	protein	237	38% helix, 16% strand	O31618
G	Yjbs	protein	64	14% helix, 27% strand	O31617

Ligands and binding sites

PO4 · Phosphate ion · ion · 2 copies · chains A, C

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	420	0.67	0.79	57	PO4
2	178	0.61	0.83	34	PO4
3	165	0.57	0.81	30	empty
4	80	0.38	0.77	16	empty
5	70	0.37	0.78	15	empty

Interfaces

3 interfaces between chains.

A–C · 1759 Å² buried · 18 hydrogen bonds · protein-protein
B–A · 1238 Å² buried · 18 hydrogen bonds · protein-protein
C–G · 542 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

1TYG · Structure of the thiazole synthase/ThiS complex · the same entry in another collection · chain G against G, TM-score 1.00
O31618 · AlphaFold monomer V2.0 prediction for thiazole synthase (O31618) · a predicted model of the same protein · chain C against A, TM-score 0.96
O31617 · AlphaFold monomer V2.0 prediction for sulfur carrier protein this (O31617) · a predicted model of the same protein · chain B against A, TM-score 0.91

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt O31617
Every structure of UniProt O31618
Elsewhere: RCSB PDB 1TYG · PDBe 1TYG · UniProt O31617 · UniProt O31618

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