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NMR structure of the imipenem-acylated L,D-transpeptidase from bacillus subtilis

Analyse NMR structure of the imipenem-acylated L,D-transpeptidase from bacillus subtilis in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4A52
Type
protein
Length
169 residues
Chains
1
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Putative L, D-transpeptidase ykud
EC
2.-.-.-
UniProt
O34816
Ligands
IM2

Structure

solution nmr · 1 distinct chain · 15% helix, 31% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APutative L, D-transpeptidase ykud (EC 2.-.-.-)protein16915% helix, 31% strandO34816

Ligands and binding sites

  • IM2 · (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid · ligand · chains A

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

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

  • 4A52 · NMR structure of the imipenem-acylated L,D-transpeptidase from Bacillus subtilis · the same entry in another collection · chain A against A, TM-score 1.00
  • O34816 · AlphaFold monomer V2.0 prediction for putative L,D-transpeptidase ykud (O34816) · a predicted model of the same protein · chain A against A, TM-score 0.82

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