MolNFT v1 · #179663 · protein

Myosin XI-F-actin complex

7KCH · Actin, alpha skeletal muscle: “Myosin XI-F-actin complex”. Electron microscopy, 2 ligands (ADP, MG), 20 pockets (best druggability 0.79). MolNFT v1 #179663 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7KCH
Type: protein
Length: 1,805 residues
Chains: 4
Method: electron microscopy
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Actin, alpha skeletal muscle; Unconventional myosin heavy chain
UniProt: P68139, Q9SSU1
Ligands: ADP, MG
Pockets: 20 · best druggability 0.79

Structure

electron microscopy · 2 distinct chains · 43% helix, 14% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
G, B, C	Actin, alpha skeletal muscle	protein	375	37% helix, 18% strand	P68139
A	Unconventional myosin heavy chain	protein	680	47% helix, 11% strand	Q9SSU1

Ligands and binding sites

ADP · Adenosine-5'-diphosphate · ligand · 3 copies · chains G, B, C
MG · Magnesium ion · metal · 3 copies · chains G, B, C

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

Pockets

20 pockets found on a 1 Å grid, 16 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	316	0.79	0.90	50	ADP, MG
2	301	0.78	0.90	46	ADP, MG
3	306	0.78	0.90	50	ADP, MG
4	636	0.77	0.83	104	empty
5	637	0.75	0.82	63	empty

Interfaces

5 interfaces between chains.

G–C · 1254 Å² buried · 13 hydrogen bonds · protein-protein
G–B · 456 Å² buried · 1 hydrogen bond · protein-protein
B–C · 448 Å² buried · 1 hydrogen bond · protein-protein
A–C · 447 Å² buried · 0 hydrogen bonds · protein-protein
G–A · 163 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

7KCH · Myosin XI-F-actin complex · the same entry in another collection · chain G against G, TM-score 1.00
P68139 · AlphaFold monomer V2.0 prediction for actin, alpha skeletal muscle (P68139) · a predicted model of the same protein · chain G against A, TM-score 0.94

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 P68139
Every structure of UniProt Q9SSU1
Elsewhere: RCSB PDB 7KCH · PDBe 7KCH · UniProt P68139 · UniProt Q9SSU1

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