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MolNFT v1 · #172491 · protein

Nucleotide-free osm-3 kinesin motor domain

7A40 · Osmotic avoidance abnormal protein 3: “Nucleotide-free osm-3 kinesin motor domain”. X-ray diffraction, 1 ligand (SO4), 8 pockets (best druggability 0.70). MolNFT v1 #172491 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
7A40
Type
protein
Length
628 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Osmotic avoidance abnormal protein 3
UniProt
P46873
Ligands
SO4
Pockets
8 · best druggability 0.70

Structure

x-ray diffraction · 2 distinct chains · 32% helix, 30% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AOsmotic avoidance abnormal protein 3protein31333% helix, 30% strandP46873
BOsmotic avoidance abnormal protein 3protein31531% helix, 30% strandP46873

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 2 copies · chains A, B
  • GOL · Glycerol · additive · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16720.700.7761GOL
21460.560.8224empty
31470.550.8122empty
42170.540.7841SO4
5700.370.7819SO4

Interfaces

1 interface between chains.

  • A–B · 443 Ų buried · 10 hydrogen bonds · protein-protein

Compared structures

  • 7A40 · Nucleotide-free OSM-3 kinesin motor domain · the same entry in another collection · chain A against A, TM-score 1.00
  • P46873 · AlphaFold monomer V2.0 prediction for osmotic avoidance abnormal protein 3 (P46873) · a predicted model of the same protein · chain B against A, TM-score 0.98

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