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MolNFT v1 · #68453 · protein

Crystal structure of L-methionine gamma-lyase from citrobacter freundii with norleucine

3JWB: “Crystal structure of L-methionine gamma-lyase from citrobacter freundii with norleucine”. X-ray diffraction, 1 ligand (NLE), 3 pockets (best druggability 0.57). MolNFT v1 #68453 on GenesisL1: 3D structure, binding sites and pockets…

PDB
3JWB
Type
protein
Length
396 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Methionine gamma-lyase
EC
4.4.1.11
UniProt
Q84AR1
Ligands
NLE
Pockets
3 · best druggability 0.57

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMethionine gamma-lyase (EC 4.4.1.11)protein39642% helix, 16% strandQ84AR1

Ligands and binding sites

  • NLE · Norleucine · ligand · chains A
  • PEG · Di(hydroxyethyl)ether · additive · 3 copies · chains A

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

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12140.570.7936empty
22180.520.7730NLE
3730.350.7615empty

Modifications

Observed in the structure: 2 modified (cofactor, oxidation).

Compared structures

  • 3JWB · Crystal structure of L-methionine gamma-lyase from Citrobacter freundii with norleucine · the same entry in another collection · chain A against A, TM-score 1.00

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