Research workbench

Secreted protein HCP3 from pseudomonas aeruginosa.

Analyse Secreted protein HCP3 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: 3HE1
Type: protein
Length: 870 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Major exported HCP3 protein
UniProt: Q9HI36
Pockets: 8 · best druggability 0.72

Structure

x-ray diffraction · 2 distinct chains · 12% helix, 53% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C, E	Major exported HCP3 protein	protein	147	12% helix, 52% strand	Q9HI36
B, D, F	Major exported HCP3 protein	protein	143	13% helix, 54% strand	Q9HI36

Ligands and binding sites

GOL · Glycerol · additive · 2 copies · chains C, D, F

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

8 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	815	0.72	0.78	73	empty
2	426	0.64	0.79	54	empty
3	326	0.58	0.77	36	empty
4	86	0.47	0.81	16	empty
5	82	0.42	0.79	15	empty

Interfaces

6 interfaces between chains.

C–D · 1239 Å² buried · 25 hydrogen bonds · protein-protein
A–B · 1192 Å² buried · 20 hydrogen bonds · protein-protein
E–F · 1187 Å² buried · 21 hydrogen bonds · protein-protein
D–E · 415 Å² buried · 4 hydrogen bonds · protein-protein
B–C · 413 Å² buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 18 modified (engineered).

Compared structures

3HE1 · Secreted protein Hcp3 from Pseudomonas aeruginosa. · the same entry in another collection · chain B against B, TM-score 1.00
Q9HI36 · AlphaFold monomer V2.0 prediction for major exported protein (Q9HI36) · 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 Q9HI36
Elsewhere: RCSB PDB 3HE1 · PDBe 3HE1 · UniProt Q9HI36

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