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Crystal structure of TT0972 protein form thermus thermophilus with cl(-) ions

Analyse Crystal structure of TT0972 protein form thermus thermophilus with cl(-) ions in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2DEH
Type: protein
Length: 404 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: TT0972 protein
Ligands: NA, CL
Pockets: 3 · best druggability 0.63

Structure

x-ray diffraction · 2 distinct chains · 22% helix, 56% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	TT0972 protein	protein	68	22% helix, 56% strand	—
C, D, E, F	TT0972 protein	protein	67	22% helix, 57% strand	—

Ligands and binding sites

NA · Sodium ion · metal · chains A, B, C
CL · Chloride ion · ion · 2 copies · chains A, F, B, E

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	328	0.63	0.79	30	empty
2	82	0.40	0.78	12	empty
3	117	0.40	0.76	21	empty

Interfaces

9 interfaces between chains.

E–F · 629 Å² buried · 8 hydrogen bonds · protein-protein
A–C · 628 Å² buried · 10 hydrogen bonds · protein-protein
B–C · 628 Å² buried · 11 hydrogen bonds · protein-protein
D–E · 600 Å² buried · 7 hydrogen bonds · protein-protein
A–B · 598 Å² buried · 8 hydrogen bonds · protein-protein

Compared structures

2DEH · Crystal structure of tt0972 protein form Thermus Thermophilus with Cl(-) ions · 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 2DEH · PDBe 2DEH

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