MolNFT v1 · #92704 · protein

Malaria invasion machinery protein complex

4GGN · Myosin a tail domain interacting protein mtip: “Malaria invasion machinery protein complex”. X-ray diffraction, 5 pockets (best druggability 0.76). MolNFT v1 #92704 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4GGN
Type: protein
Length: 423 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Myosin a tail domain interacting protein mtip; Myosin-a
UniProt: B3LDA6, Q7RQ71
Pockets: 5 · best druggability 0.76

Structure

x-ray diffraction · 4 distinct chains · 60% helix, 9% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Myosin a tail domain interacting protein mtip	protein	125	60% helix, 8% strand	B3LDA6
B	Myosin a tail domain interacting protein mtip	protein	127	55% helix, 10% strand	B3LDA6
C	Myosin a tail domain interacting protein mtip	protein	126	62% helix, 10% strand	B3LDA6
D, E, F	Myosin-a	protein	15	80% helix, 0% strand	Q7RQ71

Pockets

5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	82	0.76	0.97	21	empty
2	345	0.61	0.78	35	empty
3	283	0.56	0.77	29	empty
4	272	0.54	0.76	32	empty
5	195	0.49	0.76	22	empty

Interfaces

8 interfaces between chains.

B–E · 1116 Å² buried · 19 hydrogen bonds · protein-protein
A–D · 1085 Å² buried · 21 hydrogen bonds · protein-protein
C–F · 1053 Å² buried · 15 hydrogen bonds · protein-protein
A–C · 682 Å² buried · 6 hydrogen bonds · protein-protein
B–C · 664 Å² buried · 7 hydrogen bonds · protein-protein

Compared structures

4GGN · Malaria invasion machinery protein complex · the same entry in another collection · chain C against C, TM-score 1.00
Q7RQ71 · AlphaFold monomer V2.0 prediction for myosin-a (Q7RQ71) · a predicted model of the same protein · chain D against A, TM-score 0.76

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 B3LDA6
Every structure of UniProt Q7RQ71
Elsewhere: RCSB PDB 4GGN · PDBe 4GGN · UniProt B3LDA6 · UniProt Q7RQ71

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