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Crystal structure of the P. putida toluene transporter todx

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

PDB: 3BS0
Type: protein
Length: 828 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Todx
UniProt: Q51971
Pockets: 7 · best druggability 0.86

Structure

x-ray diffraction · 1 distinct chain · 10% helix, 54% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Todx	protein	414	10% helix, 54% strand	Q51971

Ligands and binding sites

C8E · (hydroxyethyloxy)tri(ethyloxy)octane · additive · 4 copies · chains A, B

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

Pockets

7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1012	0.86	0.87	116	C8E
2	1054	0.86	0.86	123	C8E
3	340	0.62	0.79	45	empty
4	318	0.61	0.78	43	empty
5	131	0.43	0.76	22	empty

Interfaces

1 interface between chains.

A–B · 239 Å² buried · 4 hydrogen bonds · protein-protein

Compared structures

3BS0 · Crystal structure of the P. putida toluene transporter TodX · 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 Q51971
Elsewhere: RCSB PDB 3BS0 · PDBe 3BS0 · UniProt Q51971

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