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Crystal structure of the pore-forming toxin monalysin mutant deleted of the membrane-spanning domain

Analyse Crystal structure of the pore-forming toxin monalysin mutant deleted of the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4MKQ
Type: protein
Length: 356 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Monalysin
UniProt: Q1I8U1
Pockets: 4 · best druggability 0.77

Structure

x-ray diffraction · 2 distinct chains · 17% helix, 43% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Monalysin	protein	169	18% helix, 46% strand	Q1I8U1
C, D	Monalysin	protein	9	0% helix, 0% strand	Q1I8U1

Pockets

4 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	116	0.77	0.96	34	empty
2	75	0.57	0.88	23	empty
3	68	0.32	0.75	13	empty
4	75	0.31	0.73	14	empty

Interfaces

3 interfaces between chains.

A–B · 1261 Å² buried · 12 hydrogen bonds · protein-protein
A–C · 626 Å² buried · 15 hydrogen bonds · protein-protein
B–D · 617 Å² buried · 15 hydrogen bonds · protein-protein

Compared structures

4MKQ · Crystal structure of the Pore-Forming Toxin Monalysin mutant deleted of the… · the same entry in another collection · chain A against A, TM-score 1.00
Q1I8U1 · AlphaFold monomer V2.0 prediction for monalysin (Q1I8U1) · a predicted model of the same protein · chain A 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 Q1I8U1
Elsewhere: RCSB PDB 4MKQ · PDBe 4MKQ · UniProt Q1I8U1

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