› 8scd

X-ray diffraction
2.06Å resolution

Crystal structure of sulfonamide resistance enzyme Sul3 in complex with reaction intermediate

Released:
DOI: 10.2210/pdb8scd/pdb
PDB entry 8scd coloured by chain, front view.
PDB entry 8scd coloured by chain, side view.
PDB entry 8scd coloured by chain, top view.
Source organism: uncultured bacterium
Primary publication:
Molecular mechanism of plasmid-borne resistance to sulfonamide antibiotics.
Venkatesan M, Fruci M, Verellen LA, Skarina T, Mesa N, Flick R, Pham C, Mahadevan R, Stogios PJ, Savchenko A
OpenAccess logo Nat Commun 14 4031 (2023)
PMID: 37419898

Function and Biology Details

Reaction catalysed: 
6-hydroxymethyl-7,8-dihydropterin diphosphate + 4-aminobenzoate = diphosphate + dihydropteroate
Biochemical function:
Biological process:
Cellular component:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-568572 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Dihydropteroate synthase Chain: A
Molecule details ›
Chain: A
Length: 264 amino acids
Theoretical weight: 28.88 KDa
Source organism: uncultured bacterium
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q8GJ22 (Residues: 1-263; Coverage: 100%)
Gene names: BGZ_00063, CQ842_23470, CQ842_25745, CR538_27045, CR538_27810, D9C02_25175, DS732_30315, E4K51_26350, EIZ93_23155, FPS11_28220, FPS11_30070, FTV93_26725, GNW61_27115, GNW61_29565, GOP25_25085, GOP25_28835, GQM13_25440, GQM21_20350, GTP92_18285, GTP92_25655, HHH44_004738, HHH44_005277, HVY77_26105, J0541_005398, J0541_005900, J8F57_005252, J8F57_005669, ND11IncI1_10, NOI85_27780, NY836_18225, OFN31_24985, QO046_27285, RCS37_PII0014, SAMEA3472044_03638, SAMEA3472056_05585, folP, folP2, folP2_2, folP_2, sul2, sul3
Sequence domains: Pterin binding enzyme

Ligands and Environments

6 bound ligands:
Ligand XHP 1 x XHP
Ligand PAB 1 x PAB
Ligand GOL 2 x GOL
Ligand CL 5 x CL
Ligand MG 1 x MG
Ligand POP 1 x POP
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: P3221
Unit cell:
a: 123.831Å b: 123.831Å c: 72.797Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.165 0.164 0.188
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 citations in other articles

Emergence of the fourth mobile sulfonamide resistance gene sul4 in clinical Salmonella enterica.
Peng et al. (2023)

1 mention without citation

Molecular mechanism of plasmid-borne resistance to sulfonamide antibiotics.
Venkatesan et al. (2023)