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Structure of the autoinducer-2 exporter tqsa from E. COLI

Analyse Structure of the autoinducer-2 exporter tqsa from E. COLI in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7NB6
Type: protein
Length: 1,700 residues
Chains: 5
Method: electron microscopy
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ai-2 transport protein tqsa
UniProt: P0AFS5
Pockets: 20 · best druggability 0.81

Structure

electron microscopy · 1 distinct chain · 80% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D, E	Ai-2 transport protein tqsa	protein	340	80% helix, 0% strand	P0AFS5

Pockets

20 pockets found on a 1 Å grid, 19 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	923	0.81	0.82	75	empty
2	790	0.80	0.82	64	empty
3	819	0.80	0.82	69	empty
4	1152	0.79	0.80	85	empty
5	1199	0.78	0.79	88	empty

Interfaces

10 interfaces between chains.

A–B · 1747 Å² buried · 5 hydrogen bonds · protein-protein
D–E · 1718 Å² buried · 4 hydrogen bonds · protein-protein
A–E · 1716 Å² buried · 6 hydrogen bonds · protein-protein
B–C · 1713 Å² buried · 3 hydrogen bonds · protein-protein
C–D · 1696 Å² buried · 1 hydrogen bond · protein-protein

Compared structures

7NB6 · Structure of the autoinducer-2 exporter TqsA from E. coli · the same entry in another collection · chain A against A, TM-score 1.00
P0AFS5 · AlphaFold monomer V2.0 prediction for ai-2 transport protein tqsa (P0AFS5) · a predicted model of the same protein · chain A against A, TM-score 0.85

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 P0AFS5
Elsewhere: RCSB PDB 7NB6 · PDBe 7NB6 · UniProt P0AFS5

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