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MolNFT v1 · #56812 · protein

Msreca Q196N atpgs form IV

2ZRE · Protein reca: “Msreca Q196N atpgs form IV”. X-ray diffraction, 2 ligands (AGS, MG), 4 pockets (best druggability 0.44). MolNFT v1 #56812 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
2ZRE
Type
protein
Length
320 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein reca
EC
3.4.99.37
UniProt
Q59560
Ligands
AGS, MG
Pockets
4 · best druggability 0.44

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
AProtein reca (EC 3.4.99.37)protein32038% helix, 23% strandQ59560

Ligands and binding sites

  • AGS · Phosphothiophosphoric acid-adenylate ester · ligand · chains A
  • MG · Magnesium ion · metal · chains A
  • GOL · Glycerol · additive · 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
11500.440.7524AGS
21770.430.7434empty
31650.420.7439empty
4560.300.7515empty

Compared structures

  • 2ZRE · MsRecA Q196N ATPgS form IV · the same entry in another collection · chain A against A, TM-score 1.00
  • Q59560 · AlphaFold monomer V2.0 prediction for protein reca (Q59560) · a predicted model of the same protein · chain A against A, TM-score 0.85

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