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Crystal structure of TTHA0676 from thermus thermophilus HB8

Analyse Crystal structure of TTHA0676 from thermus thermophilus HB8 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2HTM
Type: protein
Length: 1,198 residues
Chains: 8
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Thiazole biosynthesis protein thig; Putative thiamine biosynthesis protein this
UniProt: Q5SKG7, Q5SKG8
Pockets: 16 · best druggability 0.75

Structure

x-ray diffraction · 4 distinct chains · 40% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, D	Thiazole biosynthesis protein thig	protein	234	41% helix, 18% strand	Q5SKG7
B	Thiazole biosynthesis protein thig	protein	233	41% helix, 19% strand	Q5SKG7
C	Thiazole biosynthesis protein thig	protein	241	43% helix, 19% strand	Q5SKG7
E, F, G, H	Putative thiamine biosynthesis protein this	protein	64	17% helix, 39% strand	Q5SKG8

Pockets

16 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	87	0.75	0.97	32	empty
2	69	0.73	0.98	24	empty
3	1123	0.69	0.74	85	empty
4	67	0.63	0.92	26	empty
5	107	0.61	0.87	31	empty

Interfaces

8 interfaces between chains.

C–D · 1250 Å² buried · 16 hydrogen bonds · protein-protein
C–G · 1212 Å² buried · 11 hydrogen bonds · protein-protein
A–B · 1176 Å² buried · 11 hydrogen bonds · protein-protein
B–C · 1171 Å² buried · 4 hydrogen bonds · protein-protein
A–D · 1140 Å² buried · 6 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 12 modified (engineered).

Compared structures

2HTM · Crystal structure of TTHA0676 from Thermus thermophilus HB8 · the same entry in another collection · chain H against H, TM-score 1.00
Q5SKG7 · AlphaFold monomer V2.0 prediction for thiazole synthase (Q5SKG7) · a predicted model of the same protein · chain B against A, TM-score 0.99

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 Q5SKG7
Every structure of UniProt Q5SKG8
Elsewhere: RCSB PDB 2HTM · PDBe 2HTM · UniProt Q5SKG7 · UniProt Q5SKG8

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