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Crystal structure of a salmonella type III secretion system protein

Analyse Crystal structure of a salmonella type III secretion system protein in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4G2S
Type: protein
Length: 636 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Protein prgh
UniProt: P41783
Ligands: CA
Pockets: 15 · best druggability 0.54

Structure

x-ray diffraction · 1 distinct chain · 7% helix, 46% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D, E, F	Protein prgh	protein	106	7% helix, 46% strand	P41783

Ligands and binding sites

CA · Calcium ion · metal · chains B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	280	0.54	0.76	48	empty
2	221	0.50	0.76	39	empty
3	177	0.48	0.76	30	empty
4	191	0.48	0.76	26	empty
5	171	0.47	0.76	32	empty

Interfaces

6 interfaces between chains.

E–F · 680 Å² buried · 9 hydrogen bonds · protein-protein
B–C · 674 Å² buried · 12 hydrogen bonds · protein-protein
A–F · 666 Å² buried · 11 hydrogen bonds · protein-protein
C–D · 654 Å² buried · 11 hydrogen bonds · protein-protein
A–B · 649 Å² buried · 8 hydrogen bonds · protein-protein

Compared structures

4G2S · Crystal structure of a Salmonella type III secretion system protein · the same entry in another collection · chain C against C, TM-score 1.00
P41783 · AlphaFold monomer V2.0 prediction for protein prgh (P41783) · a predicted model of the same protein · chain A against A, TM-score 0.89

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 P41783
Elsewhere: RCSB PDB 4G2S · PDBe 4G2S · UniProt P41783

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