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Bovine cardiac myosin in complex with chicken skeletal actin and human cardiac tropomyosin in the rigor state

Analyse Bovine cardiac myosin in complex with chicken skeletal actin and human cardiac… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6X5Z
Type
protein
Length
3,554 residues
Chains
8
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Actin, alpha skeletal muscle; Tropomyosin alpha-1 chain; Myosin-7
UniProt
P68139, P09493, Q9BE39
Ligands
ADP, MG
Pockets
20 · best druggability 0.85

Structure

electron microscopy · 3 distinct chains · 49% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
B, A, CActin, alpha skeletal muscleprotein36940% helix, 18% strandP68139
O, PTropomyosin alpha-1 chainprotein16699% helix, 0% strandP09493
G, D, JMyosin-7protein70543% helix, 13% strandQ9BE39

Ligands and binding sites

  • ADP · Adenosine-5'-diphosphate · ligand · 3 copies · chains B, A, C
  • MG · Magnesium ion · metal · 3 copies · chains B, A, C

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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19770.850.86101empty
210170.840.8584empty
36190.820.8780ADP, MG
411760.810.8295empty
54110.800.8954ADP, MG

Interfaces

20 interfaces between chains.

  • O–P · 4436 Ų buried · 7 hydrogen bonds · protein-protein
  • B–A · 1160 Ų buried · 11 hydrogen bonds · protein-protein
  • B–C · 1133 Ų buried · 11 hydrogen bonds · protein-protein
  • A–D · 1070 Ų buried · 13 hydrogen bonds · protein-protein
  • B–G · 1069 Ų buried · 13 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 covalent (covalent ligand).

Compared structures

  • 6X5Z · Bovine Cardiac Myosin in Complex with Chicken Skeletal Actin and Human Cardiac… · the same entry in another collection · chain J against J, TM-score 1.00
  • P68139 · AlphaFold monomer V2.0 prediction for actin, alpha skeletal muscle (P68139) · a predicted model of the same protein · chain B against A, TM-score 0.95
  • Q9BE39 · AlphaFold monomer V2.0 prediction for myosin-7 (Q9BE39) · a predicted model of the same protein · chain G against A, TM-score 0.82

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