MolNFT v1 · #152098 · protein

Plasmodium falciparum myosin a, post-rigor and rigor-like states

6I7D · Myosin-a: “Plasmodium falciparum myosin a, post-rigor and rigor-like states”. X-ray diffraction, 20 pockets (best druggability 0.85). MolNFT v1 #152098 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6I7D
Type: protein
Length: 3,030 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Myosin-a
UniProt: Q8IDR3
Pockets: 20 · best druggability 0.85

Structure

x-ray diffraction · 4 distinct chains · 44% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Myosin-a	protein	762	44% helix, 17% strand	Q8IDR3
B	Myosin-a	protein	755	45% helix, 17% strand	Q8IDR3
C	Myosin-a	protein	755	45% helix, 15% strand	Q8IDR3
D	Myosin-a	protein	758	44% helix, 16% strand	Q8IDR3

Ligands and binding sites

EDO · 1,2-ethanediol · additive · 2 copies · chains B, D
GOL · Glycerol · additive · chains D

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

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	956	0.85	0.86	128	empty
2	1060	0.83	0.84	126	empty
3	848	0.83	0.85	123	empty
4	819	0.81	0.84	94	empty
5	817	0.79	0.82	88	empty

Interfaces

5 interfaces between chains.

A–D · 1311 Å² buried · 7 hydrogen bonds · protein-protein
B–D · 795 Å² buried · 9 hydrogen bonds · protein-protein
A–C · 774 Å² buried · 10 hydrogen bonds · protein-protein
A–B · 279 Å² buried · 6 hydrogen bonds · protein-protein
B–C · 124 Å² buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 modified (phosphorylation).

Compared structures

6I7D · Plasmodium falciparum Myosin A, post-rigor and rigor-like states · the same entry in another collection · chain D against D, 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 0.97

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 Q8IDR3
Elsewhere: RCSB PDB 6I7D · PDBe 6I7D · UniProt Q8IDR3

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