MolNFT v1 · #82516 · protein

Crystal structure of type VI effector TSE1 from pseudomonas aeruginosa in complex with immune protein TSI1

3VPJ · Type VI secretion exported 1: “Crystal structure of type VI effector TSE1 from pseudomonas aeruginosa in complex with immune protein TSI1”. X-ray diffraction, 17 pockets (best druggability 0.81). MolNFT v1 #82516 on GenesisL1: 3D…

PDB: 3VPJ
Type: protein
Length: 1,172 residues
Chains: 8
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Type VI secretion exported 1; TSE1-specific immunity protein
UniProt: Q9I2Q1, Q9I2Q0
Pockets: 17 · best druggability 0.81

Structure

x-ray diffraction · 5 distinct chains · 16% helix, 39% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, D	Type VI secretion exported 1	protein	146	37% helix, 20% strand	Q9I2Q1
B, C	Type VI secretion exported 1	protein	145	34% helix, 20% strand	Q9I2Q1
E, G	TSE1-specific immunity protein	protein	148	4% helix, 53% strand	Q9I2Q0
F	TSE1-specific immunity protein	protein	147	4% helix, 52% strand	Q9I2Q0
H	TSE1-specific immunity protein	protein	147	0% helix, 50% strand	Q9I2Q0

Pockets

17 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1035	0.81	0.83	104	empty
2	1177	0.79	0.81	111	empty
3	55	0.49	0.86	18	empty
4	143	0.47	0.77	30	empty
5	117	0.43	0.77	26	empty

Interfaces

12 interfaces between chains.

D–H · 1121 Å² buried · 17 hydrogen bonds · protein-protein
C–G · 1100 Å² buried · 21 hydrogen bonds · protein-protein
A–E · 1098 Å² buried · 19 hydrogen bonds · protein-protein
B–F · 1056 Å² buried · 15 hydrogen bonds · protein-protein
A–B · 579 Å² buried · 9 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 16 disulfide (disulfide).

Compared structures

3VPJ · crystal structure of type VI effector Tse1 from Pseudomonas aeruginosa in complex with… · the same entry in another collection · chain H against H, TM-score 1.00
Q9I2Q1 · AlphaFold monomer V2.0 prediction for peptidoglycan amidase TSE1 (Q9I2Q1) · a predicted model of the same protein · chain A against A, TM-score 0.99
Q9I2Q0 · AlphaFold monomer V2.0 prediction for immune protein TSI1 (Q9I2Q0) · a predicted model of the same protein · chain H 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 Q9I2Q1
Every structure of UniProt Q9I2Q0
Elsewhere: RCSB PDB 3VPJ · PDBe 3VPJ · UniProt Q9I2Q1 · UniProt Q9I2Q0

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