MolNFT v2 · #151154 · protein

Exoenzyme S from Pseudomonas aeruginosa in complex with human 14-3-3 protein beta, tetrameric crystal form

6GN0 · 14-3-3 protein beta/alpha: “Exoenzyme S from Pseudomonas aeruginosa in complex with human 14-3-3 protein beta, tetrameric crystal form”. X-ray diffraction at 3.24, 14 pockets (best druggability 0.60). MolNFT v2 #151154 on GenesisL1…

PDB: 6GN0
Type: protein
Length: 1,719 residues
Chains: 8
Method: x-ray diffraction
Collection: MolNFT v2 / PDB Bank
Contract: 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner: 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution: 3.24
Source: Homo sapiens; Pseudomonas aeruginosa
Molecule: 14-3-3 protein beta/alpha; Exoenzyme S
UniProt: P31946, Q51451
Pockets: 14 · best druggability 0.60

Structure

x-ray diffraction · resolution 3.24 · 8 distinct chains · 59% helix, 10% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	14-3-3 protein beta/alpha	protein	239	79% helix, 0% strand	P31946
B	14-3-3 protein beta/alpha	protein	233	81% helix, 0% strand	P31946
C	14-3-3 protein beta/alpha	protein	236	79% helix, 0% strand	P31946
D	14-3-3 protein beta/alpha	protein	237	81% helix, 0% strand	P31946
E	Exoenzyme S	protein	194	33% helix, 21% strand	Q51451
F	Exoenzyme S	protein	192	35% helix, 21% strand	Q51451
G	Exoenzyme S	protein	195	32% helix, 22% strand	Q51451
H	Exoenzyme S	protein	193	33% helix, 22% strand	Q51451

Pockets

14 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	359	0.60	0.77	43	empty
2	327	0.54	0.75	26	empty
3	294	0.54	0.76	24	empty
4	206	0.47	0.75	33	empty
5	140	0.39	0.73	26	empty

Interfaces

9 interfaces between chains.

B–G · 1744 Å² buried · 30 hydrogen bonds · protein-protein
C–H · 1719 Å² buried · 30 hydrogen bonds · protein-protein
D–F · 1717 Å² buried · 34 hydrogen bonds · protein-protein
A–E · 1677 Å² buried · 30 hydrogen bonds · protein-protein
A–B · 1011 Å² buried · 13 hydrogen bonds · protein-protein

Compared structures

6GN0 · Exoenzyme S from pseudomonas aeruginosa in complex with human 14-3-3 protein beta… · the same entry in another collection · chain H against H, TM-score 1.00
P31946 · AlphaFold monomer V2.0 prediction for 14-3-3 protein BETA/ALPHA (P31946) · a predicted model of the same protein · chain B 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 P31946
Every structure of UniProt Q51451
Elsewhere: RCSB PDB 6GN0 · PDBe 6GN0 · UniProt P31946 · UniProt Q51451

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