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MolNFT v1 · #15154 · protein

Molecular models of averaged rigor crossbridges from tomograms of insect flight muscle

1MVW · Skeletal muscle myosin II: “Molecular models of averaged rigor crossbridges from tomograms of insect flight muscle”. Electron microscopy, 20 pockets (best druggability 0.82). MolNFT v1 #15154 on GenesisL1: 3D structure, binding…

PDB
1MVW
Type
protein
Length
12,000 residues
Chains
32
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Skeletal muscle myosin II; Skeletal muscle myosin II regulatory; Skeletal muscle myosin…
UniProt
P13538, P02609, P02605, P68135
Pockets
20 · best druggability 0.82

Structure

electron microscopy · 4 distinct chains · 48% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, D, G, J, M, PSkeletal muscle myosin IIprotein84047% helix, 13% strandP13538
B, E, H, K, N, QSkeletal muscle myosin II regulatoryprotein14558% helix, 3% strandP02609
C, F, I, L, O, RSkeletal muscle myosin II essentialprotein14756% helix, 5% strandP02605
1, 2, 3, 4, 5, 6, 7, 8, 9, V, W, X, Y, ZRabbit skeletal muscle actinprotein37242% helix, 20% strandP68135

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110260.820.83104empty
211220.820.83109empty
310860.820.83110empty
410480.820.83110empty
510380.820.83106empty

Interfaces

60 interfaces between chains.

  • G–H · 1724 Ų buried · 23 hydrogen bonds · protein-protein
  • J–K · 1604 Ų buried · 21 hydrogen bonds · protein-protein
  • M–N · 1588 Ų buried · 22 hydrogen bonds · protein-protein
  • P–Q · 1570 Ų buried · 22 hydrogen bonds · protein-protein
  • D–E · 1547 Ų buried · 13 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 270 modified, 15 isopeptide (methylation, isopeptide).

Compared structures

  • 1MVW · Molecular models of averaged rigor crossbridges from tomograms of insect flight muscle · the same entry in another collection · chain I against I, TM-score 1.00

Analyse

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