MolNFT v1 · #173482 · protein

Myosin-II-aa mutant motor domain

7B1A · Myosin-2 heavy chain: “Myosin-II-aa mutant motor domain”. X-ray diffraction, 4 ligands (AD9, GLC, FRU), 9 pockets (best druggability 0.79). MolNFT v1 #173482 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7B1A
Type: protein
Length: 728 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Myosin-2 heavy chain
UniProt: P08799
Ligands: AD9, GLC, FRU, MG
Pockets: 9 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Myosin-2 heavy chain	protein	728	45% helix, 16% strand	P08799

Ligands and binding sites

AD9 · Adp metavanadate · ligand · chains A
GLC · alpha-D-glucopyranose · sugar · chains A
FRU · beta-D-fructofuranose · sugar · chains A
MG · Magnesium ion · metal · chains A
EDO · 1,2-ethanediol · additive · 3 copies · chains A
MLI · Malonate ion · additive · chains A

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

Pockets

9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	931	0.79	0.81	71	empty
2	497	0.68	0.79	55	MG, AD9
3	348	0.59	0.77	29	empty
4	91	0.47	0.81	22	empty
5	66	0.37	0.78	14	EDO

Compared structures

7B1A · Myosin-II-AA mutant motor domain · the same entry in another collection · chain A against A, TM-score 1.00
P08799 · AlphaFold monomer V2.0 prediction for myosin-2 heavy chain (P08799) · 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 P08799
Elsewhere: RCSB PDB 7B1A · PDBe 7B1A · UniProt P08799

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