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MolNFT v1 · #120582 · protein

The structure of rabbit skeletal muscle actomyosin rigor complex at 5.2 ångström.

5H53 · Skeletal muscle myosin heavy chain myhc-EO/IIL: “The structure of rabbit skeletal muscle actomyosin rigor complex at 5.2 ångström.”. Electron microscopy, 1 ligand (ADP), 20 pockets (best druggability 0.86). MolNFT v1 #120582 on…

PDB
5H53
Type
protein
Length
1,894 residues
Chains
5
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Skeletal muscle myosin heavy chain myhc-EO/IIL; Myosin regulatory light chain 2, skeletal…
UniProt
Q9GJP9, P24732, P02602, P68135
Ligands
ADP
Pockets
20 · best druggability 0.86

Structure

electron microscopy · 4 distinct chains · 48% helix, 10% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASkeletal muscle myosin heavy chain myhc-EO/IILprotein84549% helix, 11% strandQ9GJP9
BMyosin regulatory light chain 2, skeletal muscle isoform type 1protein14650% helix, 0% strandP24732
CMyosin light chain 1/3, skeletal muscle isoformprotein15356% helix, 0% strandP02602
D, EActin, alpha skeletal muscleprotein37543% helix, 16% strandP68135

Ligands and binding sites

  • ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains D, E

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

Pockets

20 pockets found on a 1 Å grid, 18 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14910.860.9293empty
26320.850.9093empty
32250.800.9351empty
46010.780.8473empty
54530.780.8758ADP

Interfaces

6 interfaces between chains.

  • A–C · 1611 Ų buried · 8 hydrogen bonds · protein-protein
  • A–B · 1421 Ų buried · 7 hydrogen bonds · protein-protein
  • A–D · 1232 Ų buried · 13 hydrogen bonds · protein-protein
  • D–E · 746 Ų buried · 4 hydrogen bonds · protein-protein
  • A–E · 205 Ų buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified (methylation).

Compared structures

  • 5H53 · The structure of rabbit skeletal muscle actomyosin rigor complex at 5.2 angstrom. · the same entry in another collection · chain E against E, TM-score 1.00
  • P68135 · AlphaFold monomer V2.0 prediction for actin, alpha skeletal muscle (P68135) · a predicted model of the same protein · chain E against A, TM-score 0.93
  • P02602 · AlphaFold monomer V2.0 prediction for myosin light chain 1/3, skeletal muscle isoform… · a predicted model of the same protein · chain C against A, TM-score 0.83
  • P24732 · AlphaFold monomer V2.0 prediction for myosin regulatory light chain 2, skeletal muscle… · a predicted model of the same protein · chain B against A, TM-score 0.81

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