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Crystal structure of the ralstonia pickettii toluene transporter tbux

Analyse Crystal structure of the ralstonia pickettii toluene transporter tbux in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3BRY
Type: protein
Length: 778 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Tbux
UniProt: Q9RBW8
Pockets: 7 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 4% helix, 55% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Tbux	protein	389	4% helix, 55% strand	Q9RBW8

Ligands and binding sites

C8E · (hydroxyethyloxy)tri(ethyloxy)octane · additive · 2 copies · chains B, A

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

Pockets

7 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	159	0.79	0.95	39	empty
2	146	0.77	0.95	39	empty
3	818	0.75	0.80	104	empty
4	806	0.73	0.77	94	C8E
5	773	0.71	0.77	95	C8E

Interfaces

1 interface between chains.

A–B · 474 Å² buried · 5 hydrogen bonds · protein-protein

Compared structures

3BRY · Crystal structure of the Ralstonia pickettii toluene transporter TbuX · 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
Every structure of UniProt Q9RBW8
Elsewhere: RCSB PDB 3BRY · PDBe 3BRY · UniProt Q9RBW8

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