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MolNFT v2 · #3730 · protein

Dictyostelium myosin S1DC (motor domain fragment) complexed with O,P-dinitrophenyl aminopropyldiphosphate beryllium trifluoride.

1D1B: “Dictyostelium myosin S1DC (motor domain fragment) complexed with O,P-dinitrophenyl aminopropyldiphosphate…”. X-ray diffraction at 2, 2 ligands (DAQ, MG), 7 pockets (best druggability 0.85). MolNFT v2 #3730 on GenesisL1: 3D…

PDB
1D1B
Type
protein
Length
736 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
2
Source
Dictyostelium discoideum
Molecule
Myosin
UniProt
P08799
Ligands
DAQ, MG
Pockets
7 · best druggability 0.85

Structure

x-ray diffraction · resolution 2 · 1 distinct chain · 46% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMyosinprotein73646% helix, 15% strandP08799

Ligands and binding sites

  • DAQ · O,P-dinitrophenyl aminopropyldiphosphate beryllium trifluoride · ligand · chains A
  • MG · Magnesium ion · metal · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110330.850.86114MG, DAQ
27890.690.7665empty
3870.640.9023empty
41590.550.8120empty
5610.450.8316empty

Compared structures

  • 1D1B · Dictyostelium myosin S1DC (motor domain fragment) complexed with O,P- dinitrophenyl… · the same entry in another collection · chain A against A, TM-score 1.00
  • P08799 · AlphaFold monomer V2.0 prediction for myosin-2 heavy chain (P08799) · a predicted model of the same protein · chain A against A, TM-score 0.89

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