GL1X · GenesisL1 explorer

MolNFT v1 · #178229 · protein

Crystal structure of the mycobacterium tuberculosis L,D- transpeptidase-2 (LDTMT2) with new carbapenem drug T203

7F8P: “Crystal structure of the mycobacterium tuberculosis L,D- transpeptidase-2 (LDTMT2) with new carbapenem drug…”. X-ray diffraction, 2 ligands (59I, 56X). MolNFT v1 #178229 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7F8P
Type
protein
Length
702 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
I6Y9J2
Ligands
59I, 56X

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein352—I6Y9J2
B—protein350—I6Y9J2

Ligands and binding sites

  • 59I · (2R,3R)-3-methyl-4-(2-oxidanylidene-2-propan-2-yloxy-ethyl)sulfanyl-2-[(2R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]-2,3-dihydro-1H-pyrrole-5-carboxylic acid · ligand · chains A
  • 56X · (4R,5S,6S)-6-((R)-1-hydroxyethyl)-3-((2-isopropoxy-2-oxoethyl)thio)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid · ligand · chains A
  • GOL · Glycerol · additive · 3 copies · chains A, B

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

Compared structures

  • I6Y9J2 · AlphaFold monomer V2.0 prediction for L,D-transpeptidase 2 (I6Y9J2) · a predicted model of the same protein · chain A against A, TM-score 0.99

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