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MolNFT v1 · #75934 · protein

Crystal structure of human atlastin-1 (residues 1-447) bound to GDP, crystal form 1

3Q5D: “Crystal structure of human atlastin-1 (residues 1-447) bound to GDP, crystal form 1”. X-ray diffraction, 2 ligands (GDP, MG), 5 pockets (best druggability 0.65). MolNFT v1 #75934 on GenesisL1: 3D structure, binding sites and pockets…

PDB
3Q5D
Type
protein
Length
410 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Atlastin-1
EC
3.6.5.-
UniProt
Q8WXF7
Ligands
GDP, MG
Pockets
5 · best druggability 0.65

Structure

x-ray diffraction · 1 distinct chain · 46% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAtlastin-1 (EC 3.6.5.-)protein41046% helix, 18% strandQ8WXF7

Ligands and binding sites

  • GDP · Guanosine-5'-diphosphate · 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

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13140.650.8137GDP, MG
2910.490.8221empty
3680.410.8020empty
41030.370.7418empty
5590.360.7816empty

Modifications

Observed in the structure: 9 modified (engineered).

Compared structures

  • 3Q5D · crystal structure of human Atlastin-1 (residues 1-447) bound to GDP, crystal form 1 · the same entry in another collection · chain A against A, TM-score 1.00
  • Q8WXF7 · AlphaFold monomer V2.0 prediction for atlastin-1 (Q8WXF7) · a predicted model of the same protein · chain A against A, TM-score 0.82

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