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MolNFT v1 · #4905 · protein

The high resolution structure of per-1 class a beta-lactamase

1E25 · Extended-spectrum beta-lactamase per-1: “The high resolution structure of per-1 class a beta-lactamase”. X-ray diffraction, 1 ligand (SO4), 1 pocket (best druggability 0.54). MolNFT v1 #4905 on GenesisL1: 3D structure, binding sites…

PDB
1E25
Type
protein
Length
278 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Extended-spectrum beta-lactamase per-1
EC
3.5.2.6
UniProt
P37321
Ligands
SO4
Pockets
1 · best druggability 0.54

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AExtended-spectrum beta-lactamase per-1 (EC 3.5.2.6)protein27845% helix, 21% strandP37321

Ligands and binding sites

  • SO4 · Sulfate ion · ion · chains A

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12540.540.7731SO4

Compared structures

  • 1E25 · The high resolution structure of PER-1 class A beta-lactamase · the same entry in another collection · chain A against A, TM-score 1.00
  • P37321 · AlphaFold monomer V2.0 prediction for extended-spectrum beta- lactamase per-1 (P37321) · a predicted model of the same protein · chain A against A, TM-score 1.00

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