Research workbench

Crystal structure of mtip from plasmodium falciparum in complex with hbs myoa, a hydrogen bond surrogate myoa helix mimetic

Analyse Crystal structure of mtip from plasmodium falciparum in complex with hbs myoa… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4MZL
Type: protein
Length: 310 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Myosin a tail domain interacting protein; Hydrogen bond surrogate (hbs) myoa helix mimetic
UniProt: Q8I4W8, Q8IDR3
Ligands: BUA
Pockets: 3 · best druggability 0.48

Structure

x-ray diffraction · 2 distinct chains · 63% helix, 8% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Myosin a tail domain interacting protein	protein	138	59% helix, 9% strand	Q8I4W8
C, D	Hydrogen bond surrogate (hbs) myoa helix mimetic	protein	17	88% helix, 0% strand	Q8IDR3

Ligands and binding sites

BUA · butanoic acid · ligand · 2 copies · chains A, B, C, D

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

Pockets

3 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	199	0.48	0.75	27	empty
2	205	0.45	0.73	26	empty
3	62	0.36	0.78	13	empty

Interfaces

6 interfaces between chains.

B–D · 1129 Å² buried · 18 hydrogen bonds · protein-protein
A–C · 1102 Å² buried · 16 hydrogen bonds · protein-protein
A–B · 298 Å² buried · 2 hydrogen bonds · protein-protein
B–C · 194 Å² buried · 2 hydrogen bonds · protein-protein
A–D · 27 Å² buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 covalent, 2 modified (covalent ligand, nonstandard).

Compared structures

4MZL · Crystal Structure of MTIP from Plasmodium falciparum in complex with HBS myoA, a hydrogen… · the same entry in another collection · chain A against A, TM-score 1.00
Q8IDR3 · AlphaFold monomer V2.0 prediction for myosin-a (Q8IDR3) · a predicted model of the same protein · chain C against A, TM-score 0.73

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 Q8I4W8
Every structure of UniProt Q8IDR3
Elsewhere: RCSB PDB 4MZL · PDBe 4MZL · UniProt Q8I4W8 · UniProt Q8IDR3

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.