Chlorine in PDB 4xfp: Crystal Structure of Highly Active Mutant of Bacillus Sp. Tb-90 Urate Oxidase

All present enzymatic activity of Crystal Structure of Highly Active Mutant of Bacillus Sp. Tb-90 Urate Oxidase:
1.7.3.3;

The structure of Crystal Structure of Highly Active Mutant of Bacillus Sp. Tb-90 Urate Oxidase, PDB code: 4xfp was solved by T.Hibi, Y.Hayashi, A.Kawamura, T.Itoh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.82 / 1.66
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	134.135, 145.195, 71.141, 90.00, 90.00, 90.00
R / Rfree (%)	15.6 / 18.4

The binding sites of Chlorine atom in the Crystal Structure of Highly Active Mutant of Bacillus Sp. Tb-90 Urate Oxidase (pdb code 4xfp). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Highly Active Mutant of Bacillus Sp. Tb-90 Urate Oxidase, PDB code: 4xfp:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Highly Active Mutant of Bacillus Sp. Tb-90 Urate Oxidase


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 Highly Active Mutant of Bacillus Sp. Tb-90 Urate Oxidase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:18.8 occ:1.00 HD22 A:ASN276 2.5 20.9 1.0 HA3 A:GLY302 2.5 19.6 1.0 HG1 B:THR73 2.6 18.1 1.0 HE22 A:GLN304 2.6 25.4 1.0 HB2 A:ASN276 3.0 14.9 1.0 HB3 A:ASN276 3.1 14.9 1.0 O B:HOH742 3.2 30.0 1.0 OG1 B:THR73 3.2 15.1 1.0 HG21 B:THR73 3.2 18.7 1.0 ND2 A:ASN276 3.3 17.4 1.0 C5 A:AZA401 3.3 14.3 1.0 NE2 A:GLN304 3.3 21.1 1.0 C4 A:AZA401 3.4 14.8 1.0 CB A:ASN276 3.4 12.5 1.0 HE21 A:GLN304 3.4 25.4 1.0 CA A:GLY302 3.5 16.3 1.0 C6 A:AZA401 3.6 17.2 1.0 HD12 A:ILE249 3.6 22.9 1.0 HG23 B:THR73 3.6 18.7 1.0 N3 A:AZA401 3.7 14.4 1.0 N7 A:AZA401 3.7 14.2 1.0 CG2 B:THR73 3.8 15.6 1.0 CG A:ASN276 3.8 14.2 1.0 N9 A:AZA401 3.9 17.6 1.0 N1 A:AZA401 3.9 16.8 1.0 HD21 A:ASN276 3.9 20.9 1.0 H A:GLY302 3.9 15.2 1.0 C2 A:AZA401 3.9 18.5 1.0 HA2 A:GLY302 4.0 19.6 1.0 C A:GLY302 4.1 13.1 1.0 N8 A:AZA401 4.1 17.3 1.0 CB B:THR73 4.1 13.8 1.0 HN3 A:AZA401 4.1 17.3 1.0 O6 A:AZA401 4.1 16.1 1.0 N A:GLY302 4.2 12.6 1.0 O B:HOH677 4.3 28.0 1.0 HN9 A:AZA401 4.3 21.1 1.0 HN1 A:AZA401 4.4 20.1 1.0 HZ1 B:LYS13 4.5 23.2 1.0 CD1 A:ILE249 4.5 19.1 1.0 CD A:GLN304 4.5 19.8 1.0 HB B:THR73 4.5 16.6 1.0 N A:PHE303 4.6 11.2 1.0 O A:GLY302 4.6 13.5 1.0 H A:PHE303 4.6 13.4 1.0 HD11 A:ILE249 4.6 22.9 1.0 H B:THR73 4.6 17.4 1.0 O A:HOH696 4.6 34.2 1.0 H A:ASN276 4.7 13.2 1.0 HG22 B:THR73 4.7 18.7 1.0 O2 A:AZA401 4.7 17.5 1.0 CA A:ASN276 4.8 12.6 1.0 HD13 A:ILE249 4.8 22.9 1.0 OE1 A:GLN304 4.9 18.2 1.0 HZ2 B:LYS13 4.9 23.2 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Highly Active Mutant of Bacillus Sp. Tb-90 Urate Oxidase


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 Highly Active Mutant of Bacillus Sp. Tb-90 Urate Oxidase within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl402 b:18.9 occ:1.00 HD22 B:ASN276 2.4 22.8 1.0 HG1 A:THR73 2.5 21.3 1.0 HA3 B:GLY302 2.6 19.3 1.0 HE22 B:GLN304 2.7 26.3 1.0 O A:HOH710 2.9 45.8 1.0 HB2 B:ASN276 3.0 17.6 1.0 OG1 A:THR73 3.1 17.7 1.0 HG21 A:THR73 3.2 19.3 1.0 HB3 B:ASN276 3.2 17.6 1.0 ND2 B:ASN276 3.2 19.0 1.0 C5 B:AZA401 3.2 15.7 1.0 C4 B:AZA401 3.3 13.8 1.0 NE2 B:GLN304 3.4 21.9 1.0 HE21 B:GLN304 3.4 26.3 1.0 CB B:ASN276 3.5 14.7 1.0 CA B:GLY302 3.5 16.1 1.0 C6 B:AZA401 3.5 18.7 1.0 HD12 B:ILE249 3.6 30.5 1.0 HG23 A:THR73 3.6 19.3 1.0 N3 B:AZA401 3.7 15.1 1.0 N7 B:AZA401 3.7 16.7 1.0 CG2 A:THR73 3.7 16.1 1.0 N9 B:AZA401 3.8 17.3 1.0 N1 B:AZA401 3.8 14.2 1.0 HD21 B:ASN276 3.8 22.8 1.0 CG B:ASN276 3.8 16.2 1.0 C2 B:AZA401 3.9 15.5 1.0 H B:GLY302 3.9 18.4 1.0 CB A:THR73 4.0 13.0 1.0 N8 B:AZA401 4.0 16.7 1.0 HA2 B:GLY302 4.0 19.3 1.0 O6 B:AZA401 4.1 17.1 1.0 C B:GLY302 4.1 15.2 1.0 HN3 B:AZA401 4.1 18.1 1.0 N B:GLY302 4.2 15.3 1.0 HN9 B:AZA401 4.3 20.7 1.0 HN1 B:AZA401 4.4 17.0 1.0 CD1 B:ILE249 4.4 25.4 1.0 HB A:THR73 4.4 15.6 1.0 O A:HOH666 4.5 26.2 1.0 HZ1 A:LYS13 4.5 23.9 1.0 H A:THR73 4.6 18.3 1.0 HD11 B:ILE249 4.6 30.5 1.0 CD B:GLN304 4.6 19.0 1.0 N B:PHE303 4.6 15.9 1.0 HG22 A:THR73 4.6 19.3 1.0 O B:GLY302 4.6 15.2 1.0 H B:ASN276 4.7 16.5 1.0 H B:PHE303 4.7 19.1 1.0 O2 B:AZA401 4.7 17.9 1.0 HD13 B:ILE249 4.7 30.5 1.0 CA B:ASN276 4.9 13.8 1.0 HZ2 A:LYS13 4.9 23.9 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Highly Active Mutant of Bacillus Sp. Tb-90 Urate Oxidase


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 Highly Active Mutant of Bacillus Sp. Tb-90 Urate Oxidase within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl402 b:21.5 occ:1.00 HD22 C:ASN276 2.4 24.1 1.0 HA3 C:GLY302 2.5 18.7 1.0 HG1 D:THR73 2.5 22.3 1.0 HE22 C:GLN304 2.6 30.7 1.0 HB2 C:ASN276 3.0 17.8 1.0 HG21 D:THR73 3.1 23.5 1.0 OG1 D:THR73 3.1 18.6 1.0 HB3 C:ASN276 3.2 17.8 1.0 O D:HOH702 3.2 41.1 1.0 ND2 C:ASN276 3.2 20.1 1.0 C5 C:AZA401 3.3 14.7 1.0 NE2 C:GLN304 3.3 25.6 1.0 C4 C:AZA401 3.4 16.8 1.0 HE21 C:GLN304 3.4 30.7 1.0 CB C:ASN276 3.4 14.8 1.0 CA C:GLY302 3.5 15.6 1.0 C6 C:AZA401 3.5 17.9 1.0 HG23 D:THR73 3.6 23.5 1.0 HD12 C:ILE249 3.6 27.8 1.0 N3 C:AZA401 3.7 15.8 1.0 CG2 D:THR73 3.7 19.6 1.0 N7 C:AZA401 3.7 17.8 1.0 N1 C:AZA401 3.8 19.0 1.0 CG C:ASN276 3.8 17.6 1.0 HD21 C:ASN276 3.8 24.1 1.0 N9 C:AZA401 3.8 20.4 1.0 C2 C:AZA401 3.9 16.3 1.0 H C:GLY302 4.0 19.8 1.0 HA2 C:GLY302 4.0 18.7 1.0 CB D:THR73 4.0 16.7 1.0 N8 C:AZA401 4.1 19.9 1.0 C C:GLY302 4.1 15.1 1.0 O6 C:AZA401 4.1 16.1 1.0 HN3 C:AZA401 4.1 18.9 1.0 N C:GLY302 4.2 16.5 1.0 HZ2 D:LYS13 4.3 26.7 1.0 HN9 C:AZA401 4.3 24.4 1.0 HN1 C:AZA401 4.3 22.8 1.0 HB D:THR73 4.4 20.1 1.0 CD1 C:ILE249 4.5 23.1 1.0 CD C:GLN304 4.6 20.1 1.0 O D:HOH665 4.6 28.5 1.0 N C:PHE303 4.6 15.6 1.0 HG22 D:THR73 4.6 23.5 1.0 O C:GLY302 4.6 14.5 1.0 H D:THR73 4.6 21.5 1.0 H C:PHE303 4.6 18.8 1.0 HD11 C:ILE249 4.7 27.8 1.0 O2 C:AZA401 4.7 19.9 1.0 H C:ASN276 4.7 16.2 1.0 HD13 C:ILE249 4.9 27.8 1.0 CA C:ASN276 4.9 14.7 1.0 HZ3 D:LYS13 4.9 26.7 1.0 OE1 C:GLN304 5.0 18.9 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Highly Active Mutant of Bacillus Sp. Tb-90 Urate Oxidase


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 Highly Active Mutant of Bacillus Sp. Tb-90 Urate Oxidase within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl403 b:19.8 occ:1.00 HD22 D:ASN276 2.4 23.0 1.0 HA3 D:GLY302 2.5 15.4 1.0 HE22 D:GLN304 2.6 21.3 1.0 HG1 C:THR73 2.6 19.1 1.0 HB2 D:ASN276 3.0 17.2 1.0 O D:HOH698 3.0 38.2 1.0 HB3 D:ASN276 3.1 17.2 1.0 HG21 C:THR73 3.1 20.1 1.0 OG1 C:THR73 3.2 15.9 1.0 ND2 D:ASN276 3.2 19.1 1.0 C5 D:AZA402 3.3 14.5 1.0 NE2 D:GLN304 3.3 17.7 1.0 C4 D:AZA402 3.4 13.1 1.0 CB D:ASN276 3.4 14.3 1.0 HE21 D:GLN304 3.4 21.3 1.0 CA D:GLY302 3.5 12.8 1.0 C6 D:AZA402 3.6 18.4 1.0 HG23 C:THR73 3.6 20.1 1.0 HD12 D:ILE249 3.6 21.9 1.0 N7 D:AZA402 3.7 15.5 1.0 CG2 C:THR73 3.7 16.7 1.0 N3 D:AZA402 3.7 15.7 1.0 CG D:ASN276 3.8 14.3 1.0 N9 D:AZA402 3.8 17.6 1.0 HD21 D:ASN276 3.9 23.0 1.0 N1 D:AZA402 3.9 17.3 1.0 H D:GLY302 3.9 16.0 1.0 C2 D:AZA402 4.0 16.7 1.0 N8 D:AZA402 4.0 17.6 1.0 HA2 D:GLY302 4.0 15.4 1.0 CB C:THR73 4.0 14.6 1.0 C D:GLY302 4.0 12.8 1.0 O6 D:AZA402 4.1 16.6 1.0 HN3 D:AZA402 4.2 18.8 1.0 N D:GLY302 4.2 13.3 1.0 HN9 D:AZA402 4.3 21.1 1.0 HZ1 C:LYS13 4.4 22.3 1.0 HN1 D:AZA402 4.4 20.8 1.0 O C:HOH637 4.5 24.8 1.0 O C:HOH701 4.5 37.9 1.0 CD D:GLN304 4.5 15.7 1.0 HB C:THR73 4.5 17.5 1.0 CD1 D:ILE249 4.5 18.2 1.0 N D:PHE303 4.5 12.0 1.0 O D:GLY302 4.6 14.6 1.0 HG22 C:THR73 4.6 20.1 1.0 H D:ASN276 4.6 14.2 1.0 H D:PHE303 4.6 14.4 1.0 H C:THR73 4.6 19.2 1.0 HD11 D:ILE249 4.7 21.9 1.0 O2 D:AZA402 4.8 17.2 1.0 CA D:ASN276 4.8 12.2 1.0 OE1 D:GLN304 4.9 19.9 1.0 HZ2 C:LYS13 4.9 22.3 1.0 HD13 D:ILE249 5.0 21.9 1.0

T.Hibi, Y.Hayashi, A.Kawamura, T.Itoh, H.Fukada, T.Kishimoto, Y.Nishiya. Glycine Substitution of Surface Proline 287 Involves Entropic Enhancement of Bacillus Sp. Tb-90 Uricase Activity To Be Published.