Chlorine in PDB 3kzl: Crystal Structure of BA2930 Mutant (H183G) in Complex with Accoa

The structure of Crystal Structure of BA2930 Mutant (H183G) in Complex with Accoa, PDB code: 3kzl was solved by M.M.Klimecka, M.Chruszcz, P.J.Porebski, M.Cymborowski, W.F.Anderson, W.Minor, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.57 / 2.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	71.831, 109.182, 73.721, 90.00, 111.91, 90.00
R / Rfree (%)	18 / 23.2

The structure of Crystal Structure of BA2930 Mutant (H183G) in Complex with Accoa also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

Pages:

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

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of BA2930 Mutant (H183G) in Complex with Accoa (pdb code 3kzl). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 11 binding sites of Chlorine where determined in the Crystal Structure of BA2930 Mutant (H183G) in Complex with Accoa, PDB code: 3kzl:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 11 in the Crystal Structure of BA2930 Mutant (H183G) in Complex with Accoa


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 BA2930 Mutant (H183G) in Complex with Accoa within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl267 b:38.0 occ:1.00 N A:ALA99 3.3 14.4 1.0 CD A:ARG207 3.7 21.9 1.0 CA A:PRO98 3.7 14.7 1.0 CB A:ALA99 3.9 13.9 1.0 CG A:ARG207 4.0 24.0 1.0 C A:PRO98 4.0 14.7 1.0 CB A:ARG207 4.1 25.1 1.0 NE A:ARG207 4.2 20.9 1.0 CA A:ALA99 4.2 14.2 1.0 O A:HOH464 4.3 22.3 1.0 CB A:PRO98 4.3 15.0 1.0 O A:VAL97 4.8 12.1 1.0 N A:PRO98 4.9 13.9 1.0 CD1 A:ILE202 5.0 23.8 1.0

Chlorine binding site 2 out of 11 in the Crystal Structure of BA2930 Mutant (H183G) in Complex with Accoa


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 BA2930 Mutant (H183G) in Complex with Accoa within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl267 b:37.3 occ:1.00 O D:HOH536 2.9 24.9 1.0 O D:HOH415 3.0 32.4 1.0 N D:ARG125 3.0 12.0 1.0 CE1 D:HIS103 3.7 19.4 1.0 O D:ARG125 3.7 10.7 1.0 CA D:VAL124 3.8 13.0 1.0 C D:VAL124 3.9 13.4 1.0 CA D:ARG125 3.9 11.9 1.0 CB D:ARG125 4.1 12.2 1.0 CG1 D:VAL124 4.2 15.5 1.0 ND1 D:HIS103 4.2 15.9 1.0 C D:ARG125 4.3 12.3 1.0 O D:VAL123 4.4 12.9 1.0 CB D:VAL124 4.5 13.7 1.0 CB D:PRO102 4.5 13.3 1.0 NE2 D:HIS103 4.5 19.1 1.0 CG2 D:VAL124 4.8 12.7 1.0 O D:HOH513 4.9 31.7 1.0 N D:VAL124 4.9 12.9 1.0 CG D:PRO102 5.0 14.2 1.0 O D:HOH288 5.0 14.3 1.0

Chlorine binding site 3 out of 11 in the Crystal Structure of BA2930 Mutant (H183G) in Complex with Accoa


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 BA2930 Mutant (H183G) in Complex with Accoa within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl268 b:41.6 occ:1.00 N D:GLU155 3.2 13.7 1.0 CG1 D:VAL187 3.5 12.4 1.0 CA D:GLY154 3.6 14.3 1.0 CB D:MSE151 3.7 20.0 1.0 CG D:GLU155 3.8 14.2 1.0 O D:HOH286 3.9 9.6 1.0 CG D:MSE151 3.9 22.9 1.0 C D:GLY154 3.9 13.5 1.0 CB D:GLU155 4.1 13.9 1.0 CA D:GLU155 4.3 14.0 1.0 CE D:MSE151 4.3 28.0 1.0 N D:GLY154 4.8 14.6 1.0 O D:HOH486 4.8 17.8 1.0 CB D:VAL187 4.9 14.3 1.0 O D:MSE151 4.9 17.2 1.0

Chlorine binding site 4 out of 11 in the Crystal Structure of BA2930 Mutant (H183G) in Complex with Accoa


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 BA2930 Mutant (H183G) in Complex with Accoa within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl269 b:38.5 occ:1.00 N D:THR234 3.2 20.1 1.0 CA D:GLY233 3.4 20.6 1.0 OG1 D:THR234 3.7 22.6 1.0 CG D:ASP252 3.7 13.7 1.0 CB D:ASP252 3.7 11.0 1.0 C D:GLY233 3.8 20.6 1.0 O D:HOH300 3.9 13.6 1.0 CE1 D:PHE229 3.9 16.2 1.0 OD2 D:ASP252 4.0 16.8 1.0 CB D:THR234 4.0 20.9 1.0 OD1 D:ASP252 4.1 15.5 1.0 CA D:THR234 4.2 20.7 1.0 CZ D:PHE229 4.3 15.2 1.0 CA D:ASP252 4.5 10.8 1.0 N D:GLY233 4.8 21.3 1.0 O D:THR234 4.9 19.4 1.0 O D:ASP252 4.9 11.2 1.0 C D:ASP252 4.9 10.8 1.0 O D:LYS232 4.9 22.8 1.0 CD1 D:PHE229 4.9 14.1 1.0

Chlorine binding site 5 out of 11 in the Crystal Structure of BA2930 Mutant (H183G) in Complex with Accoa


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 BA2930 Mutant (H183G) in Complex with Accoa within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl267 b:34.5 occ:1.00 O C:HOH315 3.1 18.4 1.0 N C:THR31 3.2 13.0 1.0 CE2 C:TYR168 3.7 14.0 1.0 CA C:MSE30 3.7 15.1 1.0 CD2 C:TYR168 3.7 14.5 1.0 CG C:MSE30 3.9 21.4 1.0 C C:MSE30 4.0 13.9 1.0 O C:ASP166 4.0 12.1 1.0 O C:THR31 4.2 12.7 1.0 CB C:MSE30 4.2 15.6 1.0 CA C:THR31 4.2 12.4 1.0 CB C:THR31 4.2 13.0 1.0 CA C:GLY167 4.4 11.3 1.0 OG1 C:THR31 4.4 12.2 1.0 O C:LEU165 4.6 14.2 1.0 O C:GLY29 4.6 14.8 1.0 C C:THR31 4.7 12.1 1.0 C C:ASP166 4.7 12.5 1.0 N C:MSE30 4.8 14.4 1.0 N C:GLY167 4.9 12.1 1.0 CZ C:TYR168 4.9 13.9 1.0

Chlorine binding site 6 out of 11 in the Crystal Structure of BA2930 Mutant (H183G) in Complex with Accoa


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 BA2930 Mutant (H183G) in Complex with Accoa within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl268 b:35.6 occ:1.00 O C:HOH497 3.0 13.7 1.0 O C:HOH318 3.1 21.9 1.0 N C:LYS244 3.2 10.9 1.0 CG C:LYS244 3.8 16.1 1.0 CA C:ALA243 3.8 11.0 1.0 CB C:LYS244 3.8 12.0 1.0 CA C:GLY173 3.9 12.6 1.0 O C:ASN242 3.9 11.3 1.0 C C:ALA243 4.0 11.1 1.0 CA C:LYS244 4.1 11.9 1.0 CB C:SER40 4.2 12.9 1.0 CD C:LYS244 4.2 19.9 1.0 O C:GLY173 4.4 13.4 1.0 C C:GLY173 4.5 12.8 1.0 O C:LYS244 4.5 10.6 1.0 CB C:ALA243 4.7 10.4 1.0 CE C:LYS244 4.7 20.7 1.0 O C:SER40 4.7 12.2 1.0 C C:ASN242 4.7 11.5 1.0 N C:ALA243 4.7 10.9 1.0 C C:LYS244 4.8 11.2 1.0 OG C:SER40 4.8 11.2 1.0 CA C:SER40 5.0 12.5 1.0

Chlorine binding site 7 out of 11 in the Crystal Structure of BA2930 Mutant (H183G) in Complex with Accoa


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 BA2930 Mutant (H183G) in Complex with Accoa within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl269 b:34.1 occ:1.00 ND2 C:ASN19 3.1 13.3 1.0 CG2 C:THR16 3.8 14.2 1.0 CB C:ASN19 3.9 11.2 1.0 CA C:THR16 4.0 11.4 1.0 CG C:ASN19 4.0 13.2 1.0 CB C:THR16 4.1 11.4 1.0 O C:THR16 4.5 9.8 1.0 O C:HOH286 4.7 18.7 1.0 C C:THR16 4.8 10.7 1.0 N C:THR16 4.9 11.7 1.0

Chlorine binding site 8 out of 11 in the Crystal Structure of BA2930 Mutant (H183G) in Complex with Accoa


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 BA2930 Mutant (H183G) in Complex with Accoa within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl270 b:37.1 occ:1.00 N C:LYS28 3.1 13.6 1.0 CA C:LYS27 3.7 15.6 1.0 C C:LYS27 3.9 14.4 1.0 CB C:LYS28 3.9 12.8 1.0 CA C:LYS28 4.1 12.9 1.0 NE C:ARG22 4.2 13.4 1.0 CB C:LYS27 4.2 16.4 1.0 CG C:LYS27 4.2 19.0 1.0 CD C:ARG22 4.5 13.6 1.0 O C:LEU26 4.7 14.6 1.0 O C:VAL58 4.7 9.5 1.0 N C:LYS27 4.9 14.9 1.0

Chlorine binding site 9 out of 11 in the Crystal Structure of BA2930 Mutant (H183G) in Complex with Accoa


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 BA2930 Mutant (H183G) in Complex with Accoa within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl268 b:39.0 occ:1.00 N B:LYS244 3.1 12.5 1.0 O B:HOH322 3.3 2.7 0.5 OE2 D:GLU141 3.7 34.0 1.0 CA B:ALA243 3.7 11.6 1.0 O B:ASN242 3.8 10.3 1.0 C B:ALA243 3.9 12.2 1.0 CA B:GLY173 3.9 12.6 1.0 CD D:GLU141 4.1 29.5 1.0 CA B:LYS244 4.1 14.3 1.0 CB B:LYS244 4.2 15.4 1.0 CG D:GLU141 4.2 23.2 1.0 CB B:SER40 4.2 12.0 1.0 O B:LYS244 4.4 13.4 1.0 O B:GLY173 4.5 13.1 1.0 C B:GLY173 4.6 12.9 1.0 CB B:ALA243 4.6 10.9 1.0 N B:ALA243 4.6 10.8 1.0 C B:ASN242 4.6 10.3 1.0 O B:SER40 4.6 12.0 1.0 OG B:SER40 4.7 11.5 1.0 C B:LYS244 4.8 14.0 1.0 OE1 D:GLU141 4.9 28.2 1.0 O D:HOH325 4.9 11.8 0.5 O B:HOH503 4.9 19.7 1.0 N B:GLY173 5.0 12.4 1.0

Chlorine binding site 10 out of 11 in the Crystal Structure of BA2930 Mutant (H183G) in Complex with Accoa


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 BA2930 Mutant (H183G) in Complex with Accoa within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl270 b:32.5 occ:1.00 O B:HOH305 2.9 11.9 1.0 O B:HOH288 3.1 9.3 1.0 N B:THR31 3.3 11.4 1.0 CA B:MSE30 3.7 14.4 1.0 CE2 B:TYR168 3.8 17.0 1.0 CG B:MSE30 3.9 21.9 1.0 CD2 B:TYR168 3.9 14.7 1.0 O B:ASP166 4.0 11.5 1.0 C B:MSE30 4.0 12.6 1.0 CB B:THR31 4.2 11.5 1.0 O B:THR31 4.3 9.8 1.0 CA B:THR31 4.3 10.7 1.0 CB B:MSE30 4.3 14.7 1.0 OG1 B:THR31 4.5 12.4 1.0 O B:GLY29 4.5 12.9 1.0 CA B:GLY167 4.6 10.4 1.0 O B:LEU165 4.7 11.6 1.0 O B:HOH299 4.7 29.4 1.0 C B:THR31 4.8 10.4 1.0 N B:MSE30 4.8 13.2 1.0 C B:ASP166 4.8 11.2 1.0

M.M.Klimecka, M.Chruszcz, J.Font, T.Skarina, I.Shumilin, O.Onopryienko, P.J.Porebski, M.Cymborowski, M.D.Zimmerman, J.Hasseman, I.J.Glomski, L.Lebioda, A.Savchenko, A.Edwards, W.Minor. Structural Analysis of A Putative Aminoglycoside N-Acetyltransferase From Bacillus Anthracis. J.Mol.Biol. V. 410 411 2011.
ISSN: ISSN 0022-2836
PubMed: 21601576
DOI: 10.1016/J.JMB.2011.04.076