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MolNFT v1 · #11652 · protein

Fez-1 metallo-beta-lactamase from legionella gormanii modelled with D- captopril

1JT1 · Fez-1, class B3 metallo-beta-lactamase: “Fez-1 metallo-beta-lactamase from legionella gormanii modelled with D- captopril”. X-ray diffraction, 4 ligands (MCO, ZN, SO4), 1 pocket (best druggability 0.38). MolNFT v1 #11652 on…

PDB
1JT1
Type
protein
Length
262 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Fez-1, class B3 metallo-beta-lactamase
EC
3.5.2.6
UniProt
Q9K578
Ligands
MCO, ZN, SO4, CL
Pockets
1 · best druggability 0.38

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 26% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFez-1, class B3 metallo-beta-lactamase (EC 3.5.2.6)protein26234% helix, 26% strandQ9K578

Ligands and binding sites

  • MCO · 1-(3-mercapto-2-methyl-propionyl)-pyrrolidine-2-carboxylic acid · ligand · chains A
  • ZN · Zinc ion · metal · 2 copies · chains A
  • SO4 · Sulfate ion · ion · 4 copies · chains A
  • CL · Chloride ion · ion · chains A
  • GOL · Glycerol · additive · 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, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1860.380.7621ZN, SO4, MCO

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 1JT1 · FEZ-1 metallo-beta-lactamase from Legionella gormanii modelled with D-captopril · the same entry in another collection · chain A against A, TM-score 1.00

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