Chlorine in PDB 3kg0: Crystal Structure of Snoab, A Cofactor-Independent Oxygenase From Streptomyces Nogalater, Determined to 1.7 Resolution

The structure of Crystal Structure of Snoab, A Cofactor-Independent Oxygenase From Streptomyces Nogalater, Determined to 1.7 Resolution, PDB code: 3kg0 was solved by H.Koskiniemi, T.Grocholski, Y.Lindqvist, P.Mantsala, J.Niemi, G.Schneider, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 1.70
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	58.262, 112.383, 47.127, 90.00, 90.00, 90.00
R / Rfree (%)	17.4 / 21.1

The binding sites of Chlorine atom in the Crystal Structure of Snoab, A Cofactor-Independent Oxygenase From Streptomyces Nogalater, Determined to 1.7 Resolution (pdb code 3kg0). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Snoab, A Cofactor-Independent Oxygenase From Streptomyces Nogalater, Determined to 1.7 Resolution, PDB code: 3kg0:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Snoab, A Cofactor-Independent Oxygenase From Streptomyces Nogalater, Determined to 1.7 Resolution


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 Snoab, A Cofactor-Independent Oxygenase From Streptomyces Nogalater, Determined to 1.7 Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl120 b:29.2 occ:1.00 O A:HOH127 2.9 42.8 1.0 OG1 A:THR50 3.3 22.2 1.0 O A:ILE64 3.6 13.6 1.0 CG A:ARG48 3.7 22.9 1.0 NE A:ARG48 3.8 31.4 1.0 N A:THR50 3.8 13.8 1.0 CD A:ARG48 3.9 26.6 1.0 CG2 A:ILE64 3.9 14.4 1.0 C A:HIS49 3.9 15.3 1.0 CA A:HIS49 3.9 15.1 1.0 CB A:THR50 4.1 19.5 1.0 CB A:ILE64 4.1 14.0 1.0 CG2 A:VAL66 4.2 8.0 1.0 C A:ILE64 4.2 11.8 1.0 N A:HIS49 4.3 13.0 1.0 C A:ARG48 4.4 16.4 1.0 O A:ARG48 4.4 17.3 1.0 O A:HIS49 4.5 14.3 1.0 CA A:THR50 4.6 15.8 1.0 CB A:ARG48 4.6 19.1 1.0 CA A:ILE64 4.9 13.1 1.0 N A:ALA65 4.9 6.1 1.0 CZ A:ARG48 4.9 32.9 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Snoab, A Cofactor-Independent Oxygenase From Streptomyces Nogalater, Determined to 1.7 Resolution


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 Snoab, A Cofactor-Independent Oxygenase From Streptomyces Nogalater, Determined to 1.7 Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl120 b:27.5 occ:1.00 O B:HOH145 2.8 40.9 1.0 ND2 B:ASN18 3.2 19.8 1.0 OD1 B:ASN63 3.3 19.8 1.0 CB B:ASN18 3.7 15.0 1.0 CE2 B:PHE16 3.8 20.4 1.0 CG B:ASN18 3.9 19.3 1.0 CB B:ASN63 3.9 9.5 1.0 CG B:ASN63 4.0 11.7 1.0 CZ B:PHE33 4.0 20.3 1.0 CZ B:PHE20 4.0 17.4 1.0 CE1 B:PHE20 4.0 17.6 1.0 CE1 B:PHE33 4.0 21.7 1.0 CD2 B:PHE16 4.0 22.5 1.0 O B:HOH158 4.3 49.1 1.0 O B:HOH157 4.4 33.9 1.0 CL B:CL121 4.8 37.6 1.0 CZ B:PHE16 5.0 16.0 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Snoab, A Cofactor-Independent Oxygenase From Streptomyces Nogalater, Determined to 1.7 Resolution


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 Snoab, A Cofactor-Independent Oxygenase From Streptomyces Nogalater, Determined to 1.7 Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl121 b:37.6 occ:1.00 O B:HOH145 3.3 40.9 1.0 OD1 B:ASN63 3.5 19.8 1.0 O B:HOH157 3.5 33.9 1.0 CB B:HIS49 3.8 14.0 1.0 CG B:HIS49 4.0 14.4 1.0 CB B:ALA65 4.0 12.2 1.0 CD2 B:PHE40 4.2 21.8 1.0 CA B:ALA37 4.2 14.8 1.0 CB B:ALA37 4.2 14.7 1.0 ND1 B:HIS49 4.3 16.2 1.0 CE1 B:PHE46 4.4 17.2 1.0 CB B:PHE40 4.4 14.9 1.0 CG B:ASN63 4.4 11.7 1.0 CD2 B:HIS49 4.4 18.2 1.0 CZ B:PHE33 4.4 20.3 1.0 CG B:PHE40 4.6 15.1 1.0 CE2 B:PHE33 4.7 19.1 1.0 ND2 B:ASN63 4.7 10.0 1.0 CL B:CL120 4.8 27.5 1.0 CE1 B:HIS49 4.9 19.9 1.0

T.Grocholski, H.Koskiniemi, Y.Lindqvist, P.Mantsala, J.Niemi, G.Schneider. Crystal Structure of the Cofactor-Independent Monooxygenase Snoab From Streptomyces Nogalater: Implications For the Reaction Mechanism Biochemistry V. 49 934 2010.
ISSN: ISSN 0006-2960
PubMed: 20052967
DOI: 10.1021/BI901985B