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Crystal structure of ssgbp mutation variant G235S

Analyse Crystal structure of ssgbp mutation variant G235S in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3KXL
Type
protein
Length
586 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
GTP-binding protein (hflx)
UniProt
Q980M3
Ligands
SCN
Pockets
7 · best druggability 0.61

Structure

x-ray diffraction · 2 distinct chains · 46% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGTP-binding protein (hflx)protein29546% helix, 21% strandQ980M3
BGTP-binding protein (hflx)protein29146% helix, 21% strandQ980M3

Ligands and binding sites

  • SCN · Thiocyanate ion · ion · 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, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12420.610.8146SCN
21630.550.8136empty
31070.440.7822empty
4570.360.7917empty
5820.340.7513empty

Interfaces

1 interface between chains.

  • A–B · 638 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 3KXL · crystal structure of SsGBP mutation variant G235S · the same entry in another collection · chain A against A, TM-score 1.00
  • Q980M3 · AlphaFold monomer V2.0 prediction for GTPase hflx (Q980M3) · a predicted model of the same protein · chain B against A, TM-score 0.98

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