MolNFT v1 · #136542 · protein

Re-refined 4FCZ: lipid-bound crystal structure of toluene-tolerance protein from pseudomonas putida

5UWB · Toluene tolerance protein: “Re-refined 4FCZ: lipid-bound crystal structure of toluene-tolerance protein from pseudomonas putida”. X-ray diffraction, 1 ligand (PEF), 2 pockets (best druggability 0.81). MolNFT v1 #136542 on GenesisL1…

PDB: 5UWB
Type: protein
Length: 374 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Toluene tolerance protein
UniProt: Q88P91
Ligands: PEF
Pockets: 2 · best druggability 0.81

Structure

x-ray diffraction · 1 distinct chain · 59% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
B, A	Toluene tolerance protein	protein	187	59% helix, 19% strand	Q88P91

Ligands and binding sites

PEF · Di-palmitoyl-3-sn-phosphatidylethanolamine · ligand · 4 copies · chains B, A

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

Pockets

2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	421	0.81	0.89	44	PEF
2	392	0.80	0.89	41	PEF

Interfaces

1 interface between chains.

B–A · 448 Å² buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 10 modified (engineered).

Compared structures

5UWB · Re-refined 4FCZ: lipid-bound crystal structure of toluene-tolerance protein from… · the same entry in another collection · chain B against B, 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 Q88P91
Elsewhere: RCSB PDB 5UWB · PDBe 5UWB · UniProt Q88P91

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