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Crystal structure of the CUPB6 tip adhesin from pseudomonas aeruginosa

Analyse Crystal structure of the CUPB6 tip adhesin from pseudomonas aeruginosa in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 5CYL
Type: protein
Length: 2,837 residues
Chains: 8
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Fimbrial subunit CUPB6
UniProt: Q9HWU7
Pockets: 20 · best druggability 0.85

Structure

x-ray diffraction · 8 distinct chains · 3% helix, 46% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Fimbrial subunit CUPB6	protein	361	4% helix, 47% strand	Q9HWU7
B	Fimbrial subunit CUPB6	protein	355	3% helix, 49% strand	Q9HWU7
C	Fimbrial subunit CUPB6	protein	353	3% helix, 46% strand	Q9HWU7
D	Fimbrial subunit CUPB6	protein	359	4% helix, 43% strand	Q9HWU7
E	Fimbrial subunit CUPB6	protein	355	4% helix, 46% strand	Q9HWU7
F	Fimbrial subunit CUPB6	protein	342	2% helix, 47% strand	Q9HWU7
G	Fimbrial subunit CUPB6	protein	353	2% helix, 46% strand	Q9HWU7
H	Fimbrial subunit CUPB6	protein	359	4% helix, 47% strand	Q9HWU7

Pockets

20 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	943	0.85	0.86	115	empty
2	918	0.84	0.86	131	empty
3	1198	0.83	0.84	112	empty
4	1112	0.83	0.84	108	empty
5	373	0.76	0.86	52	empty

Interfaces

18 interfaces between chains.

E–H · 1091 Å² buried · 12 hydrogen bonds · protein-protein
A–B · 1084 Å² buried · 12 hydrogen bonds · protein-protein
C–D · 1052 Å² buried · 17 hydrogen bonds · protein-protein
F–G · 1051 Å² buried · 12 hydrogen bonds · protein-protein
E–F · 1024 Å² buried · 17 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 16 disulfide (disulfide).

Compared structures

5CYL · Crystal structure of the CupB6 tip adhesin from Pseudomonas aeruginosa · 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 Q9HWU7
Elsewhere: RCSB PDB 5CYL · PDBe 5CYL · UniProt Q9HWU7

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