Chlorine in PDB 5buf: 2.37 Angstrom Structure of Epsp Synthase From Acinetobacter Baumannii

All present enzymatic activity of 2.37 Angstrom Structure of Epsp Synthase From Acinetobacter Baumannii:
2.5.1.19;

The structure of 2.37 Angstrom Structure of Epsp Synthase From Acinetobacter Baumannii, PDB code: 5buf was solved by K.A.Sutton, L.W.Schultz, J.Breen, J.Graham, T.C.Umland, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.79 / 2.37
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	73.893, 103.380, 113.204, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 22.9

The binding sites of Chlorine atom in the 2.37 Angstrom Structure of Epsp Synthase From Acinetobacter Baumannii (pdb code 5buf). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the 2.37 Angstrom Structure of Epsp Synthase From Acinetobacter Baumannii, PDB code: 5buf:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the 2.37 Angstrom Structure of Epsp Synthase From Acinetobacter Baumannii


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 2.37 Angstrom Structure of Epsp Synthase From Acinetobacter Baumannii within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl801 b:18.7 occ:1.00 HH21 A:ARG339 2.5 30.1 1.0 O A:HOH1122 2.7 31.2 1.0 H A:HIS510 2.7 26.3 1.0 HG1 A:THR511 2.8 17.8 1.0 H A:THR511 2.9 22.8 1.0 HB2 A:HIS510 2.9 29.3 1.0 HB2 A:ALA482 3.0 33.5 1.0 O A:HOH1061 3.0 26.5 1.0 NH2 A:ARG339 3.3 25.1 1.0 N A:HIS510 3.4 21.9 1.0 HB2 A:ARG508 3.5 31.4 1.0 HE A:ARG339 3.5 28.8 1.0 HD2 A:HIS510 3.6 31.6 1.0 O A:ARG508 3.6 24.5 1.0 N A:THR511 3.6 19.0 1.0 OG1 A:THR511 3.7 14.8 1.0 HH22 A:ARG339 3.7 30.1 1.0 CB A:HIS510 3.7 24.4 1.0 C A:ARG508 3.9 23.9 1.0 CB A:ALA482 3.9 28.0 1.0 HB3 A:ARG508 3.9 31.4 1.0 CA A:HIS510 4.0 23.1 1.0 HA A:ASP509 4.0 26.4 1.0 HB1 A:ALA482 4.1 33.5 1.0 CB A:ARG508 4.1 26.1 1.0 N A:ASP509 4.1 22.7 1.0 CZ A:ARG339 4.1 24.4 1.0 NE A:ARG339 4.1 24.0 1.0 CD2 A:HIS510 4.1 26.3 1.0 HB3 A:ALA482 4.2 33.5 1.0 C A:ASP509 4.2 20.9 1.0 CG A:HIS510 4.3 25.9 1.0 C A:HIS510 4.3 21.6 1.0 HB A:THR511 4.3 19.5 1.0 CA A:ASP509 4.3 22.0 1.0 HG A:SER486 4.4 22.2 1.0 CB A:THR511 4.4 16.2 1.0 OG A:SER486 4.4 18.5 1.0 HB3 A:HIS510 4.5 29.3 1.0 H A:ASP509 4.5 27.3 1.0 HZ2 A:LYS485 4.5 28.2 1.0 CA A:ARG508 4.6 25.1 1.0 CA A:THR511 4.6 18.1 1.0 HB3 A:SER335 4.8 33.5 1.0 OE2 A:GLU512 4.8 20.7 1.0 HA A:HIS510 4.9 27.7 1.0

Chlorine binding site 2 out of 4 in the 2.37 Angstrom Structure of Epsp Synthase From Acinetobacter Baumannii


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 2.37 Angstrom Structure of Epsp Synthase From Acinetobacter Baumannii within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl802 b:62.1 occ:1.00 HH22 A:ARG661 2.5 57.5 1.0 HE A:ARG710 2.5 42.1 1.0 HH12 A:ARG661 2.8 57.1 1.0 NE A:ARG710 3.3 35.1 1.0 NH2 A:ARG661 3.3 47.9 1.0 HH21 A:ARG710 3.3 43.9 1.0 HE2 A:HIS709 3.5 42.2 1.0 NH1 A:ARG661 3.6 47.6 1.0 HG3 A:ARG710 3.8 37.1 1.0 CZ A:ARG661 3.9 46.8 1.0 HH21 A:ARG661 3.9 57.5 1.0 NH2 A:ARG710 4.0 36.5 1.0 HD2 A:ARG710 4.0 39.2 1.0 OD1 A:ASP630 4.0 33.6 1.0 HE1 A:HIS709 4.1 43.6 1.0 CZ A:ARG710 4.1 35.8 1.0 NE2 A:HIS709 4.1 35.2 1.0 CD A:ARG710 4.1 32.6 1.0 CG A:ASP630 4.2 32.7 1.0 HB3 A:ASP630 4.2 35.3 1.0 HH11 A:ARG661 4.3 57.1 1.0 OD2 A:ASP630 4.3 34.7 1.0 CE1 A:HIS709 4.4 36.4 1.0 CG A:ARG710 4.5 31.0 1.0 HH22 A:ARG710 4.7 43.9 1.0 CB A:ASP630 4.8 29.4 1.0 HG2 A:ARG710 4.9 37.1 1.0 HZ3 A:LYS334 4.9 54.0 1.0 HD3 A:ARG710 5.0 39.2 1.0

Chlorine binding site 3 out of 4 in the 2.37 Angstrom Structure of Epsp Synthase From Acinetobacter Baumannii


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of 2.37 Angstrom Structure of Epsp Synthase From Acinetobacter Baumannii within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl801 b:23.0 occ:1.00 HH21 B:ARG339 2.6 35.5 1.0 H B:HIS510 2.7 36.0 1.0 HB2 B:HIS510 2.8 36.5 1.0 O B:HOH1059 2.8 24.0 1.0 H B:THR511 2.9 34.5 1.0 HB3 B:ALA482 3.2 35.2 1.0 NH2 B:ARG339 3.3 29.6 1.0 N B:HIS510 3.4 30.0 1.0 HD2 B:HIS510 3.4 37.8 1.0 O B:HOH989 3.5 37.2 1.0 CB B:HIS510 3.6 30.4 1.0 HH22 B:ARG339 3.6 35.5 1.0 OG1 B:THR511 3.7 26.2 1.0 N B:THR511 3.7 28.7 1.0 HB2 B:ARG508 3.7 39.3 1.0 HE B:ARG339 3.7 34.0 1.0 O B:ARG508 3.8 33.4 1.0 HG1 B:THR511 3.9 31.4 1.0 CA B:HIS510 3.9 30.0 1.0 HB3 B:SER335 4.0 42.7 1.0 CB B:ALA482 4.0 29.3 1.0 CD2 B:HIS510 4.0 31.5 1.0 C B:ARG508 4.0 33.1 1.0 HB3 B:ARG508 4.1 39.3 1.0 CZ B:ARG339 4.1 29.2 1.0 HB2 B:ALA482 4.1 35.2 1.0 CG B:HIS510 4.1 31.6 1.0 NE B:ARG339 4.2 28.3 1.0 HA B:ASP509 4.2 37.7 1.0 N B:ASP509 4.3 32.3 1.0 CB B:ARG508 4.3 32.8 1.0 C B:HIS510 4.3 29.9 1.0 C B:ASP509 4.3 30.9 1.0 HB1 B:ALA482 4.3 35.2 1.0 HB3 B:HIS510 4.4 36.5 1.0 HB B:THR511 4.4 33.0 1.0 CA B:ASP509 4.5 31.4 1.0 CB B:THR511 4.5 27.5 1.0 HG B:SER486 4.7 33.2 1.0 H B:ASP509 4.7 38.7 1.0 CA B:THR511 4.7 27.7 1.0 CB B:SER335 4.7 35.6 1.0 OG B:SER486 4.7 27.7 1.0 OG B:SER335 4.8 35.9 1.0 CA B:ARG508 4.8 33.0 1.0 HB2 B:SER335 4.8 42.7 1.0 HZ2 B:LYS485 4.9 45.4 1.0 HA B:HIS510 4.9 36.0 1.0 HG B:SER335 4.9 43.1 1.0

Chlorine binding site 4 out of 4 in the 2.37 Angstrom Structure of Epsp Synthase From Acinetobacter Baumannii


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of 2.37 Angstrom Structure of Epsp Synthase From Acinetobacter Baumannii within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl802 b:52.1 occ:1.00 HE B:ARG710 2.7 43.9 1.0 HH22 B:ARG661 2.7 60.5 1.0 HE2 B:HIS709 3.0 49.0 1.0 HH21 B:ARG710 3.1 47.2 1.0 NE B:ARG710 3.4 36.6 1.0 OE1 B:GLU658 3.5 0.6 1.0 NH2 B:ARG661 3.6 50.4 1.0 NE2 B:HIS709 3.6 40.8 1.0 HH12 B:ARG661 3.7 60.6 1.0 HE1 B:HIS709 3.7 51.1 1.0 NH2 B:ARG710 3.8 39.3 1.0 HG3 B:ARG710 3.9 40.8 1.0 CZ B:ARG710 4.0 37.2 1.0 HH21 B:ARG661 4.0 60.5 1.0 CE1 B:HIS709 4.0 42.6 1.0 HD2 B:ARG710 4.3 41.7 1.0 CD B:ARG710 4.3 34.7 1.0 NH1 B:ARG661 4.3 50.5 1.0 OD1 B:ASP630 4.4 43.9 1.0 CG B:ASP630 4.4 42.3 1.0 CZ B:ARG661 4.4 50.3 1.0 OD2 B:ASP630 4.4 42.9 1.0 HB3 B:ASP630 4.4 47.3 1.0 HH22 B:ARG710 4.5 47.2 1.0 CD B:GLU658 4.5 1.0 1.0 CG B:ARG710 4.6 34.0 1.0 OE2 B:GLU658 4.8 0.7 1.0 CD2 B:HIS709 4.9 38.7 1.0 HG2 B:ARG710 4.9 40.8 1.0 CB B:ASP630 5.0 39.5 1.0

K.A.Sutton, J.Breen, T.A.Russo, L.W.Schultz, T.C.Umland. Crystal Structure of 5-Enolpyruvylshikimate-3-Phosphate (Epsp) Synthase From the Eskape Pathogen Acinetobacter Baumannii. Acta Crystallogr.,Sect.F V. 72 179 2016.
ISSN: ESSN 2053-230X
PubMed: 26919521
DOI: 10.1107/S2053230X16001114