MolNFT v1 · #106814 · protein

Crystal structure of a bacterial ABC transporter involved in the import of the acidic polysaccharide alginate

4TQV · ALGM1: “Crystal structure of a bacterial ABC transporter involved in the import of the acidic polysaccharide alginate”. X-ray diffraction, 20 pockets (best druggability 0.82). MolNFT v1 #106814 on GenesisL1: 3D structure, binding…

PDB: 4TQV
Type: protein
Length: 5,180 residues
Chains: 16
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: ALGM1; ALGM2; Algs
UniProt: Q9KWT8, Q9KWT7, Q9KWT9
Pockets: 20 · best druggability 0.82

Structure

x-ray diffraction · 4 distinct chains · 60% helix, 9% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, E, I, M	ALGM1	protein	286	77% helix, 0% strand	Q9KWT8
B, J, N	ALGM2	protein	284	74% helix, 0% strand	Q9KWT7
C, D, G, H, K, L, O, P	Algs	protein	363	25% helix, 30% strand	Q9KWT9
F	ALGM2	protein	280	74% helix, 0% strand	Q9KWT7

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	847	0.82	0.84	76	empty
2	835	0.81	0.84	82	empty
3	1163	0.81	0.82	74	empty
4	1197	0.81	0.82	84	empty
5	917	0.79	0.82	70	empty

Interfaces

31 interfaces between chains.

A–B · 4190 Å² buried · 19 hydrogen bonds · protein-protein
M–N · 4162 Å² buried · 20 hydrogen bonds · protein-protein
E–F · 4159 Å² buried · 19 hydrogen bonds · protein-protein
I–J · 4138 Å² buried · 18 hydrogen bonds · protein-protein
O–P · 1303 Å² buried · 11 hydrogen bonds · protein-protein

Compared structures

4TQV · Crystal structure of a bacterial ABC transporter involved in the import of the acidic… · 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 Q9KWT8
Every structure of UniProt Q9KWT7
Every structure of UniProt Q9KWT9
Elsewhere: RCSB PDB 4TQV · PDBe 4TQV · UniProt Q9KWT8 · UniProt Q9KWT7 · UniProt Q9KWT9

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