› 4n1x

X-ray diffraction
2Å resolution

Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with penicillin G

Released:
DOI: 10.2210/pdb4n1x/pdb
PDB entry 4n1x coloured by chain, front view.
PDB entry 4n1x coloured by chain, side view.
PDB entry 4n1x coloured by chain, top view.
Source organism: Lancefieldella parvulum DSM 20469
Entry authors: Filippova EV, Minasov G, Shuvalova L, Kiryukhina O, Babnigg G, Rubin E, Sacchettini J, Joachimiak A, Anderson WF, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI)

Function and Biology Details

Reaction catalysed: 
(GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala))(n)-diphosphoundecaprenol + GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol = (GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala))(n+1)-diphosphoundecaprenol + undecaprenyl diphosphate
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-111806 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Penicillin-binding protein transpeptidase domain-containing protein Chains: A, B
Molecule details ›
Chains: A, B
Length: 472 amino acids
Theoretical weight: 49.57 KDa
Source organism: Lancefieldella parvulum DSM 20469
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: C8W8H7 (Residues: 515-954; Coverage: 46%)
Gene name: Apar_1344
Sequence domains: Penicillin binding protein transpeptidase domain
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand PNM 2 x PNM
1 modified residue:
Ligand MSE 28 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-F
Spacegroup: P21
Unit cell:
a: 68.623Å b: 70.141Å c: 115.344Å
α: 90° β: 96.39° γ: 90°
R-values:
R R work R free
0.202 0.2 0.237
Expression system: Escherichia coli BL21(DE3)

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