MolNFT v1 · #80376 · protein

Phosphorylated light chain domain of scallop smooth muscle myosin

3TUY · Myosin heavy chain: “Phosphorylated light chain domain of scallop smooth muscle myosin”. X-ray diffraction, 2 ligands (MG, CA), 4 pockets (best druggability 0.64). MolNFT v1 #80376 on GenesisL1: 3D structure, binding sites and…

PDB: 3TUY
Type: protein
Length: 728 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Myosin heavy chain; Myosin regulatory light chain; Myosin essential light chain
UniProt: Q26080, Q26069, Q26066
Ligands: MG, CA
Pockets: 4 · best druggability 0.64

Structure

x-ray diffraction · 5 distinct chains · 59% helix, 6% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, D	Myosin heavy chain	protein	69	93% helix, 0% strand	Q26080
B	Myosin regulatory light chain	protein	141	57% helix, 6% strand	Q26069
C	Myosin essential light chain	protein	152	55% helix, 8% strand	Q26066
E	Myosin regulatory light chain	protein	146	55% helix, 4% strand	Q26069
F	Myosin essential light chain	protein	151	54% helix, 8% strand	Q26066

Ligands and binding sites

MG · Magnesium ion · metal · 2 copies · chains B, E
CA · Calcium ion · metal · 2 copies · chains C, F

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

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	622	0.64	0.74	63	empty
2	58	0.52	0.86	18	empty
3	194	0.48	0.75	32	empty
4	115	0.44	0.77	18	empty

Interfaces

7 interfaces between chains.

A–B · 2110 Å² buried · 22 hydrogen bonds · protein-protein
D–E · 2032 Å² buried · 24 hydrogen bonds · protein-protein
A–C · 1911 Å² buried · 23 hydrogen bonds · protein-protein
D–F · 1906 Å² buried · 22 hydrogen bonds · protein-protein
B–F · 268 Å² buried · 6 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 modified (phosphorylation).

Compared structures

3TUY · Phosphorylated Light Chain Domain of Scallop smooth Muscle Myosin · the same entry in another collection · chain A against A, TM-score 1.00

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 Q26080
Every structure of UniProt Q26069
Every structure of UniProt Q26066
Elsewhere: RCSB PDB 3TUY · PDBe 3TUY · UniProt Q26080 · UniProt Q26069 · UniProt Q26066

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