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MolNFT v1 · #14796 · protein

Structural analysis of the domain interactions in der, a switch protein containing two GTPase domains

1MKY · Probable GTP-binding protein enga: “Structural analysis of the domain interactions in der, a switch protein containing two GTPase domains”. X-ray diffraction, 2 ligands (GDP, PO4), 4 pockets (best druggability 0.49). MolNFT v1…

PDB
1MKY
Type
protein
Length
407 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Probable GTP-binding protein enga
UniProt
Q9X1F8
Ligands
GDP, PO4
Pockets
4 · best druggability 0.49

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProbable GTP-binding protein engaprotein40738% helix, 23% strandQ9X1F8

Ligands and binding sites

  • GDP · Guanosine-5'-diphosphate · ligand · chains A
  • PO4 · Phosphate ion · ion · 5 copies · chains A

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

Pockets

4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11360.490.7921empty
2970.380.7520empty
3860.350.7513empty
41210.350.7219empty

Modifications

Observed in the structure: 7 modified (engineered).

Compared structures

  • 1MKY · Structural Analysis of the Domain Interactions in Der, a Switch Protein Containing Two… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9X1F8 · AlphaFold monomer V2.0 prediction for GTPase der (Q9X1F8) · a predicted model of the same protein · chain A against A, TM-score 0.99

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