MolNFT v1 · #85806 · protein

Myosin VI (MDINSERT2-GFP fusion) pre-powerstroke state (MG.ADP.ALF4)

4ANJ · Unconventional myosin-VI, green fluorescent protein: “Myosin VI (MDINSERT2-GFP fusion) pre-powerstroke state (MG.ADP.ALF4)”. X-ray diffraction, 5 ligands (CR2, ADP, ALF), 15 pockets (best druggability 0.73). MolNFT v1 #85806 on…

PDB: 4ANJ
Type: protein
Length: 1,123 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Unconventional myosin-VI, green fluorescent protein; Calmodulin
UniProt: Q29122, P42212, P62152
Ligands: CR2, ADP, ALF, CA, MG
Pockets: 15 · best druggability 0.73

Structure

x-ray diffraction · 2 distinct chains · 42% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Unconventional myosin-VI, green fluorescent protein	protein	995	41% helix, 24% strand	Q29122, P42212
B	Calmodulin	protein	128	55% helix, 2% strand	P62152

Ligands and binding sites

CR2 · {(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid · ligand · chains A
ADP · Adenosine-5'-diphosphate · ligand · chains A
ALF · Tetrafluoroaluminate ion · ligand · chains A
CA · Calcium ion · metal · 3 copies · chains B
MG · Magnesium ion · metal · chains A

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

Pockets

15 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	500	0.73	0.82	56	ADP, MG, ALF
2	62	0.73	0.98	22	CR2
3	683	0.72	0.78	77	empty
4	452	0.67	0.79	45	empty
5	126	0.64	0.87	24	empty

Interfaces

1 interface between chains.

A–B · 2012 Å² buried · 16 hydrogen bonds · protein-protein

Compared structures

4ANJ · MYOSIN VI (MDinsert2-GFP fusion) PRE-POWERSTROKE STATE (MG.ADP.AlF4) · the same entry in another collection · chain A against A, TM-score 1.00
Q29122 · AlphaFold monomer V2.0 prediction for unconventional myosin-VI (Q29122) · a predicted model of the same protein · chain A against A, TM-score 0.71
P62152 · AlphaFold monomer V2.0 prediction for calmodulin (P62152) · a predicted model of the same protein · chain B against A, TM-score 0.47
P42212 · AlphaFold monomer V2.0 prediction for green fluorescent protein (P42212) · a predicted model of the same protein · chain A against A, TM-score 0.23

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 Q29122
Every structure of UniProt P42212
Every structure of UniProt P62152
Elsewhere: RCSB PDB 4ANJ · PDBe 4ANJ · UniProt Q29122 · UniProt P42212 · UniProt P62152

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