Phosphorus in PDB 1aj2: Crystal Structure of A Binary Complex of E. Coli Dihydropteroate Synthase

All present enzymatic activity of Crystal Structure of A Binary Complex of E. Coli Dihydropteroate Synthase:
2.5.1.15;

The structure of Crystal Structure of A Binary Complex of E. Coli Dihydropteroate Synthase, PDB code: 1aj2 was solved by A.Achari, D.O.Somers, J.N.Champness, P.K.Bryant, J.Rosemond, D.K.Stammers, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 2.00
Space group	C 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	93.500, 60.940, 59.930, 90.00, 114.80, 90.00
R / Rfree (%)	16.9 / n/a

The binding sites of Phosphorus atom in the Crystal Structure of A Binary Complex of E. Coli Dihydropteroate Synthase (pdb code 1aj2). This binding sites where shown within 5.0 Angstroms radius around Phosphorus atom.
In total 2 binding sites of Phosphorus where determined in the Crystal Structure of A Binary Complex of E. Coli Dihydropteroate Synthase, PDB code: 1aj2:
Jump to Phosphorus binding site number: 1; 2;

Phosphorus binding site 1 out of 2 in the Crystal Structure of A Binary Complex of E. Coli Dihydropteroate Synthase


Mono view


Stereo pair view

A full contact list of Phosphorus with other atoms in the P binding site number 1 of Crystal Structure of A Binary Complex of E. Coli Dihydropteroate Synthase within 5.0Å range: probe atom residue distance (Å) B Occ A:P283 b:27.6 occ:1.00 P1 A:2PH283 0.0 27.6 1.0 O2P A:2PH283 1.5 26.3 1.0 O1P A:2PH283 1.5 26.6 1.0 O3P A:2PH283 1.6 24.1 1.0 O4 A:2PH283 1.6 26.7 1.0 C11 A:2PH283 2.7 21.4 1.0 P2 A:2PH283 3.0 20.4 1.0 OG1 A:THR62 3.5 23.3 1.0 O6P A:2PH283 3.7 25.8 1.0 O5P A:2PH283 3.7 20.4 1.0 CG A:ARG63 3.8 24.8 1.0 C2 A:2PH283 3.8 20.1 1.0 O A:HOH426 3.9 32.3 1.0 O4P A:2PH283 4.0 26.2 1.0 C3 A:2PH283 4.0 18.8 1.0 NE A:ARG63 4.1 33.8 1.0 N A:THR62 4.3 21.6 1.0 N A:ARG63 4.4 24.7 1.0 CD A:ARG63 4.5 30.1 1.0 CZ A:ARG63 4.5 35.4 1.0 CB A:THR62 4.6 25.0 1.0 C A:THR62 4.6 22.7 1.0 CA A:THR62 4.7 22.2 1.0 NH2 A:ARG63 4.8 36.7 1.0 N1 A:2PH283 5.0 18.8 1.0

Phosphorus binding site 2 out of 2 in the Crystal Structure of A Binary Complex of E. Coli Dihydropteroate Synthase


Mono view


Stereo pair view

A full contact list of Phosphorus with other atoms in the P binding site number 2 of Crystal Structure of A Binary Complex of E. Coli Dihydropteroate Synthase within 5.0Å range: probe atom residue distance (Å) B Occ A:P283 b:20.4 occ:1.00 P2 A:2PH283 0.0 20.4 1.0 O4P A:2PH283 1.5 26.2 1.0 O6P A:2PH283 1.5 25.8 1.0 O3P A:2PH283 1.5 24.1 1.0 O5P A:2PH283 1.5 20.4 1.0 P1 A:2PH283 3.0 27.6 1.0 O4 A:2PH283 3.5 26.7 1.0 NE2 A:HIS257 3.7 14.3 1.0 ND2 A:ASN22 3.8 18.3 1.0 C11 A:2PH283 3.8 21.4 1.0 O2P A:2PH283 3.9 26.3 1.0 O1P A:2PH283 3.9 26.6 1.0 NH1 A:ARG255 3.9 8.7 1.0 NH2 A:ARG63 4.0 36.7 1.0 O A:HOH297 4.0 28.6 1.0 NH2 A:ARG255 4.1 10.0 1.0 CE1 A:HIS257 4.2 17.8 1.0 CZ A:ARG63 4.4 35.4 1.0 CZ A:ARG255 4.5 11.3 1.0 CD1 A:ILE20 4.6 10.0 1.0 C2 A:2PH283 4.6 20.1 1.0 CG2 A:ILE20 4.6 15.6 1.0 C3 A:2PH283 4.7 18.8 1.0 CG A:ASN22 4.8 18.1 1.0 OD1 A:ASN22 4.8 20.4 1.0 NH1 A:ARG63 4.8 36.4 1.0 CD2 A:HIS257 4.8 14.4 1.0 NE A:ARG63 4.8 33.8 1.0

A.Achari, D.O.Somers, J.N.Champness, P.K.Bryant, J.Rosemond, D.K.Stammers. Crystal Structure of the Anti-Bacterial Sulfonamide Drug Target Dihydropteroate Synthase. Nat.Struct.Biol. V. 4 490 1997.
ISSN: ISSN 1072-8368
PubMed: 9187658
DOI: 10.1038/NSB0697-490