MolNFT v1 · #92266 · protein

Structure of the catalytic domain of the salmonella virulence factor ssei

4G2B · Secreted effector protein ssei: “Structure of the catalytic domain of the salmonella virulence factor ssei”. X-ray diffraction, 2 pockets (best druggability 0.48). MolNFT v1 #92266 on GenesisL1: 3D structure, binding sites and…

PDB: 4G2B
Type: protein
Length: 337 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Secreted effector protein ssei
UniProt: Q8ZQ79
Pockets: 2 · best druggability 0.48

Structure

x-ray diffraction · 2 distinct chains · 36% helix, 24% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Secreted effector protein ssei	protein	169	36% helix, 24% strand	Q8ZQ79
B	Secreted effector protein ssei	protein	168	35% helix, 24% strand	Q8ZQ79

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	123	0.48	0.79	24	empty
2	90	0.46	0.81	23	empty

Interfaces

1 interface between chains.

A–B · 902 Å² buried · 8 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

4G2B · Structure of the Catalytic Domain of the Salmonella Virulence Factor SseI · the same entry in another collection · chain A against A, TM-score 1.00
Q8ZQ79 · AlphaFold monomer V2.0 prediction for secreted effector protein ssei (Q8ZQ79) · a predicted model of the same protein · chain A against A, TM-score 0.98

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 Q8ZQ79
Elsewhere: RCSB PDB 4G2B · PDBe 4G2B · UniProt Q8ZQ79

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