Chlorine in PDB 3kxa: Crystal Structure of NGO0477 From Neisseria Gonorrhoeae

The structure of Crystal Structure of NGO0477 From Neisseria Gonorrhoeae, PDB code: 3kxa was solved by J.Ren, S.Sainsbury, J.E.Nettleship, R.J.Owens, Oxford Protein Productionfacility (Oppf), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.31 / 2.80
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	124.823, 124.823, 137.577, 90.00, 90.00, 120.00
R / Rfree (%)	23 / 28

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 13;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of NGO0477 From Neisseria Gonorrhoeae (pdb code 3kxa). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 13 binding sites of Chlorine where determined in the Crystal Structure of NGO0477 From Neisseria Gonorrhoeae, PDB code: 3kxa:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 13 in the Crystal Structure of NGO0477 From Neisseria Gonorrhoeae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of NGO0477 From Neisseria Gonorrhoeae within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl134 b:61.3 occ:1.00 NZ A:LYS42 3.1 39.2 1.0 CE A:LYS42 4.0 2.0 1.0 CE2 A:PHE74 4.1 31.3 1.0 CD A:GLU78 4.3 45.2 1.0 OE1 A:GLU78 4.3 49.5 1.0 O A:GLY73 4.3 38.3 1.0 CD2 A:PHE74 4.4 31.2 1.0 CZ A:PHE74 4.5 25.2 1.0 CG A:GLU78 4.5 26.7 1.0 OE2 A:GLU78 4.6 33.7 1.0 CB A:GLU78 4.7 22.5 1.0 CG A:PHE74 5.0 30.7 1.0

Chlorine binding site 2 out of 13 in the Crystal Structure of NGO0477 From Neisseria Gonorrhoeae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of NGO0477 From Neisseria Gonorrhoeae within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl135 b:49.1 occ:1.00 CE A:MSE70 3.5 61.0 1.0 OG1 B:THR26 3.7 41.3 1.0 CB B:THR26 3.8 50.5 1.0 CB B:ALA28 3.9 33.9 1.0 N B:ALA28 3.9 39.1 1.0 NH2 A:ARG69 3.9 51.0 1.0 CD B:PRO27 4.1 42.5 1.0 CG2 A:THR75 4.2 24.2 1.0 N B:PRO27 4.4 44.2 1.0 CA B:ALA28 4.5 37.1 1.0 CA A:THR75 4.6 27.2 1.0 CB A:THR75 4.7 27.4 1.0 C B:THR26 4.7 46.5 1.0 CG2 B:THR26 4.7 46.6 1.0 CA B:THR26 4.8 48.7 1.0 CB B:PRO27 4.9 38.7 1.0 CG B:PRO27 4.9 29.3 1.0 C B:PRO27 5.0 43.2 1.0 CE A:MSE45 5.0 71.8 1.0 CA B:PRO27 5.0 45.2 1.0

Chlorine binding site 3 out of 13 in the Crystal Structure of NGO0477 From Neisseria Gonorrhoeae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of NGO0477 From Neisseria Gonorrhoeae within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl136 b:57.2 occ:1.00 CA A:LEU117 3.4 15.2 1.0 N A:LEU117 3.5 19.4 1.0 CB A:LEU117 3.7 20.4 1.0 NE A:ARG120 3.8 42.3 1.0 CD A:ARG120 4.0 19.1 1.0 C A:PRO116 4.0 19.0 1.0 CD1 A:LEU117 4.0 23.2 1.0 CB A:PRO116 4.2 12.6 1.0 O A:PRO116 4.3 12.2 1.0 CG A:LEU117 4.5 27.3 1.0 CG A:ARG120 4.6 10.4 1.0 CB A:ARG120 4.7 17.2 1.0 C A:LEU117 4.8 22.9 1.0 CA A:PRO116 4.8 19.4 1.0 CZ A:ARG120 5.0 44.0 1.0

Chlorine binding site 4 out of 13 in the Crystal Structure of NGO0477 From Neisseria Gonorrhoeae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of NGO0477 From Neisseria Gonorrhoeae within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl137 b:75.7 occ:1.00 NZ D:LYS7 2.9 60.6 1.0 CE A:MSE130 3.5 0.8 1.0 CE D:LYS7 3.6 58.5 1.0 CG A:MSE130 4.5 79.1 1.0 O A:GLU131 4.7 67.2 1.0 CB A:MSE130 4.7 71.7 1.0 CD D:LYS7 4.8 49.7 1.0 SE A:MSE130 4.9 0.8 1.0

Chlorine binding site 5 out of 13 in the Crystal Structure of NGO0477 From Neisseria Gonorrhoeae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of NGO0477 From Neisseria Gonorrhoeae within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl138 b:56.0 occ:1.00 NE A:ARG92 3.3 28.7 1.0 CB A:SER96 3.6 42.5 1.0 CG A:LYS97 3.8 22.7 1.0 NH2 A:ARG92 3.9 45.1 1.0 N A:LYS97 4.0 36.1 1.0 C A:SER96 4.1 32.9 1.0 CZ A:ARG92 4.1 35.9 1.0 CG A:ARG92 4.1 21.5 1.0 CA A:LYS97 4.1 26.3 1.0 CB A:ARG92 4.2 27.4 1.0 CD A:ARG92 4.2 21.5 1.0 CA A:SER96 4.5 35.9 1.0 O A:SER96 4.5 39.7 1.0 OG A:SER96 4.6 40.5 1.0 CB A:LYS97 4.6 21.9 1.0 O A:HOH143 4.9 11.9 1.0 NE B:ARG92 4.9 34.1 1.0 CD B:ARG92 5.0 33.8 1.0

Chlorine binding site 6 out of 13 in the Crystal Structure of NGO0477 From Neisseria Gonorrhoeae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of NGO0477 From Neisseria Gonorrhoeae within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl134 b:61.6 occ:1.00 NZ B:LYS7 2.9 62.3 1.0 CE C:MSE130 3.3 0.0 1.0 CE B:LYS7 3.5 61.4 1.0 CG C:MSE130 4.3 79.1 1.0 CB C:MSE130 4.6 73.6 1.0 CD B:LYS7 4.7 44.4 1.0 SE C:MSE130 4.8 0.7 1.0 O C:GLU131 4.9 70.7 1.0

Chlorine binding site 7 out of 13 in the Crystal Structure of NGO0477 From Neisseria Gonorrhoeae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of NGO0477 From Neisseria Gonorrhoeae within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl135 b:66.4 occ:1.00 CE B:MSE70 3.5 61.6 1.0 NH2 B:ARG69 3.8 35.1 1.0 CG2 B:THR75 4.0 15.4 1.0 CB A:ALA28 4.1 35.1 1.0 N A:ALA28 4.2 37.5 1.0 CA B:THR75 4.3 23.5 1.0 CD A:PRO27 4.3 46.6 1.0 OG1 A:THR26 4.4 48.5 1.0 CB A:THR26 4.4 40.7 1.0 CB B:THR75 4.5 29.5 1.0 N A:PRO27 4.7 41.8 1.0 CA A:ALA28 4.8 33.1 1.0 CE B:MSE45 4.8 76.2 1.0 CG A:PRO27 4.9 46.2 1.0 CB A:PRO27 5.0 43.4 1.0

Chlorine binding site 8 out of 13 in the Crystal Structure of NGO0477 From Neisseria Gonorrhoeae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of NGO0477 From Neisseria Gonorrhoeae within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl134 b:51.2 occ:1.00 CE C:MSE70 3.4 61.7 1.0 OG1 D:THR26 3.7 43.1 1.0 CB D:THR26 3.7 52.9 1.0 CB D:ALA28 3.9 36.7 1.0 N D:ALA28 3.9 37.5 1.0 CD D:PRO27 3.9 41.1 1.0 NH2 C:ARG69 4.0 50.6 1.0 N D:PRO27 4.2 44.4 1.0 CG2 C:THR75 4.3 19.3 1.0 CA D:ALA28 4.5 40.0 1.0 C D:THR26 4.6 47.1 1.0 CG2 D:THR26 4.7 49.7 1.0 CA C:THR75 4.7 27.9 1.0 CG D:PRO27 4.7 32.9 1.0 CA D:THR26 4.7 49.1 1.0 CB D:PRO27 4.8 36.9 1.0 CB C:THR75 4.8 30.5 1.0 CA D:PRO27 4.9 45.4 1.0 C D:PRO27 4.9 42.8 1.0 CE C:MSE45 5.0 79.2 1.0

Chlorine binding site 9 out of 13 in the Crystal Structure of NGO0477 From Neisseria Gonorrhoeae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of NGO0477 From Neisseria Gonorrhoeae within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl135 b:56.0 occ:1.00 CA C:LEU117 3.4 18.1 1.0 N C:LEU117 3.4 19.6 1.0 CB C:LEU117 3.7 20.1 1.0 NE C:ARG120 3.8 46.1 1.0 C C:PRO116 3.9 17.2 1.0 CD1 C:LEU117 4.0 16.3 1.0 CD C:ARG120 4.0 24.5 1.0 CB C:PRO116 4.1 11.0 1.0 O C:PRO116 4.2 16.6 1.0 CG C:LEU117 4.5 23.3 1.0 CG C:ARG120 4.7 14.1 1.0 C C:LEU117 4.7 24.5 1.0 CA C:PRO116 4.7 17.8 1.0 CB C:ARG120 4.7 20.2 1.0 CZ C:ARG120 5.0 49.4 1.0

Chlorine binding site 10 out of 13 in the Crystal Structure of NGO0477 From Neisseria Gonorrhoeae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of NGO0477 From Neisseria Gonorrhoeae within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl136 b:80.6 occ:1.00 CE D:MSE70 3.6 63.5 1.0 CG2 D:THR75 3.8 8.2 1.0 NH2 D:ARG69 4.1 37.3 1.0 CB C:ALA28 4.1 34.1 1.0 CA D:THR75 4.2 20.7 1.0 N C:ALA28 4.2 37.0 1.0 CD C:PRO27 4.3 45.2 1.0 CB D:THR75 4.4 28.5 1.0 CE D:MSE45 4.6 76.7 1.0 CB C:THR26 4.7 44.2 1.0 OG1 C:THR26 4.7 45.3 1.0 N C:PRO27 4.8 44.2 1.0 CA C:ALA28 4.8 31.7 1.0 CG C:PRO27 4.8 48.1 1.0 CB C:PRO27 4.8 45.0 1.0 N D:THR75 4.9 27.3 1.0

J.Ren, S.Sainsbury, J.E.Nettleship, N.J.Saunders, R.J.Owens. The Crystal Structure of NGO0477 From Neisseria Gonorrhoeae Reveals A Novel Protein Fold Incorporating A Helix-Turn-Helix Motif. Proteins V. 78 1798 2010.
ISSN: ISSN 0887-3585
PubMed: 20196080
DOI: 10.1002/PROT.22698