MolNFT v1 · #36313 · protein

Outer membrane protein ompw

2F1T · Outer membrane protein W: “Outer membrane protein ompw”. X-ray diffraction, 5 pockets (best druggability 0.61). MolNFT v1 #36313 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2F1T
Type: protein
Length: 549 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Outer membrane protein W
UniProt: P0A915
Pockets: 5 · best druggability 0.61

Structure

x-ray diffraction · 1 distinct chain · 3% helix, 66% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C	Outer membrane protein W	protein	183	3% helix, 66% strand	P0A915

Ligands and binding sites

C8E · (hydroxyethyloxy)tri(ethyloxy)octane · additive · 8 copies · chains A, B, C
LDA · Lauryl dimethylamine-N-oxide · additive · 3 copies · chains A, B, C
GOL · Glycerol · additive · 3 copies · chains A, B, C

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

Pockets

5 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	132	0.61	0.85	26	LDA
2	138	0.60	0.84	26	LDA
3	166	0.60	0.82	29	LDA
4	153	0.41	0.73	26	C8E
5	52	0.24	0.72	13	empty

Interfaces

3 interfaces between chains.

A–B · 117 Å² buried · 0 hydrogen bonds · protein-protein
B–C · 58 Å² buried · 0 hydrogen bonds · protein-protein
A–C · 23 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

2F1T · Outer membrane protein OmpW · the same entry in another collection · chain A against A, TM-score 1.00
P0A915 · AlphaFold monomer V2.0 prediction for outer membrane protein W (P0A915) · a predicted model of the same protein · chain A against A, TM-score 0.97

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 P0A915
Elsewhere: RCSB PDB 2F1T · PDBe 2F1T · UniProt P0A915

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