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MolNFT v1 · #38080 · protein

Crystal structure of an universal stress protein family protein from arabidopsis thaliana AT3G01520 with AMP bound

2GM3 · Unknown protein: “Crystal structure of an universal stress protein family protein from arabidopsis thaliana AT3G01520 with AMP…”. X-ray diffraction, 1 ligand (AMP), 11 pockets (best druggability 0.72). MolNFT v1 #38080 on GenesisL1…

PDB
2GM3
Type
protein
Length
905 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Unknown protein
UniProt
Q8LGG8
Ligands
AMP
Pockets
11 · best druggability 0.72

Structure

x-ray diffraction · 3 distinct chains · 41% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, C, D, EUnknown proteinprotein15342% helix, 24% strandQ8LGG8
BUnknown proteinprotein14540% helix, 25% strandQ8LGG8
FUnknown proteinprotein14841% helix, 24% strandQ8LGG8

Ligands and binding sites

  • AMP · Adenosine monophosphate · ligand · 6 copies · chains A, B, C, D, E, F

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14980.720.8167AMP
25490.710.8079AMP
36010.710.7986AMP
42820.520.7434empty
51760.460.7621empty

Interfaces

7 interfaces between chains.

  • A–B · 1073 Ų buried · 27 hydrogen bonds · protein-protein
  • E–F · 1064 Ų buried · 28 hydrogen bonds · protein-protein
  • C–D · 1053 Ų buried · 25 hydrogen bonds · protein-protein
  • C–E · 871 Ų buried · 8 hydrogen bonds · protein-protein
  • A–E · 182 Ų buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 18 modified (engineered).

Compared structures

  • 2GM3 · Crystal Structure of an Universal Stress Protein Family Protein from Arabidopsis Thaliana… · the same entry in another collection · chain F against F, TM-score 1.00
  • Q8LGG8 · AlphaFold monomer V2.0 prediction for universal stress protein a-like protein (Q8LGG8) · a predicted model of the same protein · chain A against A, TM-score 0.90

Analyse

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