MolNFT v1 · #2254 · protein

Smooth muscle myosin motor domain complexed with MGADP.ALF4

1BR2: “Smooth muscle myosin motor domain complexed with MGADP.ALF4”. X-ray diffraction, 3 ligands (ALF, ADP, MG), 20 pockets (best druggability 0.78). MolNFT v1 #2254 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1BR2
Type: protein
Length: 4,038 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Myosin
EC: 3.6.1.32
UniProt: P10587
Ligands: ALF, ADP, MG
Pockets: 20 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 48% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D, E, F	Myosin (EC 3.6.1.32)	protein	673	48% helix, 15% strand	P10587

Ligands and binding sites

ALF · Tetrafluoroaluminate ion · ligand · 6 copies · chains A, B, C, D, E, F
ADP · Adenosine-5'-diphosphate · ligand · 6 copies · chains A, B, C, D, E, F
MG · Magnesium ion · metal · 6 copies · chains A, B, C, D, E, F

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	1115	0.78	0.80	93	empty
2	815	0.77	0.81	56	empty
3	864	0.77	0.80	56	empty
4	974	0.76	0.79	92	MG, ALF, ADP
5	818	0.76	0.80	55	empty

Interfaces

8 interfaces between chains.

B–C · 364 Å² buried · 7 hydrogen bonds · protein-protein
C–F · 234 Å² buried · 2 hydrogen bonds · protein-protein
B–F · 215 Å² buried · 4 hydrogen bonds · protein-protein
A–C · 205 Å² buried · 4 hydrogen bonds · protein-protein
C–E · 47 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

1BR2 · Smooth muscle myosin motor domain complexed with MGADP.ALF4 · the same entry in another collection · chain B against B, TM-score 1.00
P10587 · AlphaFold monomer V2.0 prediction for myosin-11 (P10587) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 P10587
Elsewhere: RCSB PDB 1BR2 · PDBe 1BR2 · UniProt P10587

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