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MolNFT v1 · #150865 · protein

The structure of the fkr mutant of the archaeal translation initiation factor 2 gamma subunit in complex with gdpcp, obtained in the absence of magnesium salts in the crystallization solution.

6H6K · Translation initiation factor 2 subunit gamma: “The structure of the fkr mutant of the archaeal translation initiation factor 2 gamma subunit in complex with…”. X-ray diffraction, 2 ligands (GCP, NA), 20 pockets (best druggability…

PDB
6H6K
Type
protein
Length
2,047 residues
Chains
5
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Translation initiation factor 2 subunit gamma
UniProt
Q980A5
Ligands
GCP, NA
Pockets
20 · best druggability 0.82

Structure

x-ray diffraction · 5 distinct chains · 17% helix, 41% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATranslation initiation factor 2 subunit gammaprotein41317% helix, 40% strandQ980A5
BTranslation initiation factor 2 subunit gammaprotein40718% helix, 41% strandQ980A5
CTranslation initiation factor 2 subunit gammaprotein41317% helix, 41% strandQ980A5
DTranslation initiation factor 2 subunit gammaprotein40917% helix, 42% strandQ980A5
ETranslation initiation factor 2 subunit gammaprotein40516% helix, 40% strandQ980A5

Ligands and binding sites

  • GCP · Phosphomethylphosphonic acid guanylate ester · ligand · 5 copies · chains A, B, C, D, E
  • NA · Sodium ion · metal · 6 copies · chains A, B
  • EDO · 1,2-ethanediol · additive · 4 copies · chains C, D

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

Pockets

20 pockets found on a 1 Å grid, 15 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17540.820.8591EDO
29310.820.8492empty
37700.790.8267empty
43140.630.7935empty
53290.620.7837empty

Interfaces

5 interfaces between chains.

  • B–C · 1153 Ų buried · 11 hydrogen bonds · protein-protein
  • A–D · 1123 Ų buried · 8 hydrogen bonds · protein-protein
  • A–E · 799 Ų buried · 13 hydrogen bonds · protein-protein
  • A–B · 723 Ų buried · 12 hydrogen bonds · protein-protein
  • C–D · 680 Ų buried · 9 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 10 disulfide (disulfide).

Compared structures

  • Q980A5 · AlphaFold monomer V2.0 prediction for translation initiation factor 2 subunit gamma… · a predicted model of the same protein · chain E against A, TM-score 0.99

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