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Structure of a mutated tolc

Analyse Structure of a mutated tolc in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2WMZ
Type: protein
Length: 1,284 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Outer membrane protein tolc
UniProt: P02930
Ligands: NA, CL
Pockets: 11 · best druggability 0.70

Structure

x-ray diffraction · 1 distinct chain · 65% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C	Outer membrane protein tolc	protein	428	65% helix, 17% strand	P02930

Ligands and binding sites

NA · Sodium ion · metal · chains B, C
CL · Chloride ion · ion · 3 copies · chains A, B, C
PGE · Triethylene glycol · additive · 5 copies · chains A, B, C

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

Pockets

11 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	720	0.70	0.77	91	empty
2	114	0.42	0.76	21	empty
3	87	0.39	0.76	14	empty
4	88	0.38	0.76	16	empty
5	110	0.37	0.74	20	empty

Interfaces

3 interfaces between chains.

A–C · 2526 Å² buried · 53 hydrogen bonds · protein-protein
B–C · 2511 Å² buried · 52 hydrogen bonds · protein-protein
A–B · 2437 Å² buried · 53 hydrogen bonds · protein-protein

Compared structures

2WMZ · Structure of a mutated TolC · the same entry in another collection · chain A against A, TM-score 1.00
P02930 · AlphaFold monomer V2.0 prediction for outer membrane protein tolc (P02930) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 P02930
Elsewhere: RCSB PDB 2WMZ · PDBe 2WMZ · UniProt P02930

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