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Crystal structure of TTK003001566 from thermus thermophilus HB8

Analyse Crystal structure of TTK003001566 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: 1WWS
Type: protein
Length: 1,184 residues
Chains: 8
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Hypothetical protein TTHA1479
Ligands: CA
Pockets: 11 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 68% helix, 3% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D, E, F, G, H	Hypothetical protein TTHA1479	protein	148	68% helix, 3% strand	—

Ligands and binding sites

CA · Calcium ion · metal · 6 copies · chains A, B, C, D, E, F, G, H

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

Pockets

11 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	771	0.75	0.80	73	empty
2	953	0.74	0.77	80	empty
3	785	0.74	0.79	69	empty
4	109	0.46	0.78	14	empty
5	131	0.44	0.76	14	empty

Interfaces

9 interfaces between chains.

C–D · 1515 Å² buried · 26 hydrogen bonds · protein-protein
G–H · 1496 Å² buried · 25 hydrogen bonds · protein-protein
A–B · 1489 Å² buried · 26 hydrogen bonds · protein-protein
E–F · 1471 Å² buried · 23 hydrogen bonds · protein-protein
B–C · 606 Å² buried · 10 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 24 modified (engineered).

Compared structures

1WWS · Crystal structure of ttk003001566 from Thermus Thermophilus HB8 · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Elsewhere: RCSB PDB 1WWS · PDBe 1WWS

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