MolNFT v1 · #105560 · protein

Crystal structure of myosin-1C tail in complex with calmodulin

4R8G · Unconventional myosin-ic: “Crystal structure of myosin-1C tail in complex with calmodulin”. X-ray diffraction, 1 ligand (SO4), 10 pockets (best druggability 0.75). MolNFT v1 #105560 on GenesisL1: 3D structure, binding sites and…

PDB: 4R8G
Type: protein
Length: 748 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Unconventional myosin-ic; Calmodulin
UniProt: Q9WTI7, P62155
Ligands: SO4
Pockets: 10 · best druggability 0.75

Structure

x-ray diffraction · 4 distinct chains · 53% helix, 11% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
E	Unconventional myosin-ic	protein	324	46% helix, 21% strand	Q9WTI7
B	Calmodulin	protein	136	58% helix, 3% strand	P62155
A	Calmodulin	protein	144	58% helix, 4% strand	P62155
H	Calmodulin	protein	144	58% helix, 3% strand	P62155

Ligands and binding sites

SO4 · Sulfate ion · ion · 3 copies · chains E

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	125	0.75	0.94	26	empty
2	138	0.45	0.76	18	empty
3	147	0.42	0.74	20	empty
4	64	0.41	0.80	11	empty
5	54	0.41	0.82	21	empty

Interfaces

5 interfaces between chains.

E–H · 2892 Å² buried · 17 hydrogen bonds · protein-protein
E–A · 1399 Å² buried · 13 hydrogen bonds · protein-protein
E–B · 1228 Å² buried · 12 hydrogen bonds · protein-protein
B–A · 255 Å² buried · 1 hydrogen bond · protein-protein
B–H · 224 Å² buried · 1 hydrogen bond · protein-protein

Compared structures

4R8G · Crystal Structure of Myosin-1c tail in complex with Calmodulin · the same entry in another collection · chain H against H, TM-score 1.00
Q9WTI7 · AlphaFold monomer V2.0 prediction for unconventional myosin-ic (Q9WTI7) · a predicted model of the same protein · chain E against A, TM-score 0.73

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 Q9WTI7
Every structure of UniProt P62155
Elsewhere: RCSB PDB 4R8G · PDBe 4R8G · UniProt Q9WTI7 · UniProt P62155

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