Chlorine in PDB 2oga: X-Ray Crystal Structure of S. Venezuelae Desv in Complex with Ketimine Intermediate

The structure of X-Ray Crystal Structure of S. Venezuelae Desv in Complex with Ketimine Intermediate, PDB code: 2oga was solved by H.M.Holden, E.S.Burgie, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.00 / 2.05
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	59.730, 143.390, 92.560, 90.00, 108.49, 90.00
R / Rfree (%)	n/a / n/a

The structure of X-Ray Crystal Structure of S. Venezuelae Desv in Complex with Ketimine Intermediate also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Chlorine atom in the X-Ray Crystal Structure of S. Venezuelae Desv in Complex with Ketimine Intermediate (pdb code 2oga). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the X-Ray Crystal Structure of S. Venezuelae Desv in Complex with Ketimine Intermediate, PDB code: 2oga:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the X-Ray Crystal Structure of S. Venezuelae Desv in Complex with Ketimine Intermediate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Crystal Structure of S. Venezuelae Desv in Complex with Ketimine Intermediate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl380 b:25.8 occ:1.00 N A:TYR39 3.2 16.0 1.0 O A:HOH1115 3.2 18.8 1.0 N A:LEU40 3.4 15.3 1.0 O A:HOH1194 3.5 29.0 1.0 CA A:TYR39 3.8 10.9 1.0 CB A:TYR39 3.9 8.6 1.0 CD1 B:LEU15 3.9 13.4 1.0 C A:TYR39 4.0 20.4 1.0 CD1 A:TYR39 4.2 24.7 1.0 CB A:LEU40 4.2 17.4 1.0 O A:LEU40 4.3 13.0 1.0 C A:ARG38 4.3 19.7 1.0 CA A:LEU40 4.3 17.9 1.0 NE A:ARG38 4.3 30.0 1.0 CA A:ARG38 4.4 13.3 1.0 CG A:TYR39 4.4 20.2 1.0 CG B:PRO191 4.5 14.7 1.0 CD A:ARG38 4.5 56.9 1.0 CB B:PRO191 4.6 14.7 1.0 CG A:LEU40 4.6 20.7 1.0 O A:GLY37 4.7 17.6 1.0 O B:HOH1229 4.7 39.2 1.0 C A:LEU40 4.8 23.3 1.0 O B:HOH1063 5.0 18.3 1.0

Chlorine binding site 2 out of 4 in the X-Ray Crystal Structure of S. Venezuelae Desv in Complex with Ketimine Intermediate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Crystal Structure of S. Venezuelae Desv in Complex with Ketimine Intermediate within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl380 b:28.2 occ:1.00 O A:HOH1181 3.1 36.1 1.0 O B:HOH1032 3.2 22.5 1.0 N B:TYR39 3.3 13.6 1.0 N B:LEU40 3.5 18.2 1.0 CA B:TYR39 4.0 15.1 1.0 CD1 A:LEU15 4.0 22.5 1.0 CB B:LEU40 4.1 12.4 1.0 C B:TYR39 4.1 23.4 1.0 C B:ARG38 4.3 18.6 1.0 O B:LEU40 4.3 17.4 1.0 CA B:LEU40 4.3 18.5 1.0 CB B:TYR39 4.3 17.4 1.0 CA B:ARG38 4.3 16.5 1.0 CG A:PRO191 4.5 20.9 1.0 CD1 B:TYR39 4.5 21.5 1.0 O A:HOH1306 4.6 41.0 1.0 CD B:ARG38 4.6 35.5 1.0 CB A:PRO191 4.6 16.2 1.0 CG B:LEU40 4.6 16.5 1.0 NE B:ARG38 4.7 29.0 1.0 O B:GLY37 4.7 22.7 1.0 CG B:TYR39 4.8 18.9 1.0 C B:LEU40 4.8 20.4 1.0 CG B:ARG38 4.8 17.0 1.0 CZ B:ARG38 4.9 93.9 1.0 O A:HOH1065 5.0 18.7 1.0

Chlorine binding site 3 out of 4 in the X-Ray Crystal Structure of S. Venezuelae Desv in Complex with Ketimine Intermediate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of X-Ray Crystal Structure of S. Venezuelae Desv in Complex with Ketimine Intermediate within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl380 b:32.4 occ:1.00 N C:TYR39 3.0 14.5 1.0 O D:HOH1085 3.2 30.6 1.0 O C:HOH1032 3.2 20.2 1.0 N C:LEU40 3.4 11.6 1.0 NH1 C:ARG38 3.5 0.0 1.0 CA C:TYR39 3.7 13.9 1.0 CD1 D:LEU15 3.9 26.8 1.0 C C:ARG38 4.0 18.0 1.0 CD C:ARG38 4.0 33.5 1.0 C C:TYR39 4.0 10.6 1.0 CB C:TYR39 4.1 17.0 1.0 CA C:ARG38 4.1 12.6 1.0 CB C:LEU40 4.3 12.6 1.0 O C:LEU40 4.3 13.2 1.0 CD1 C:TYR39 4.4 18.1 1.0 CA C:LEU40 4.4 11.9 1.0 CG D:PRO191 4.4 21.0 1.0 CB D:PRO191 4.4 20.2 1.0 CZ C:ARG38 4.5 0.0 1.0 O C:GLY37 4.5 17.3 1.0 CG C:TYR39 4.6 16.1 1.0 NE C:ARG38 4.7 34.2 1.0 C C:LEU40 4.9 14.6 1.0 CG C:LEU40 5.0 19.6 1.0

Chlorine binding site 4 out of 4 in the X-Ray Crystal Structure of S. Venezuelae Desv in Complex with Ketimine Intermediate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of X-Ray Crystal Structure of S. Venezuelae Desv in Complex with Ketimine Intermediate within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl380 b:30.9 occ:1.00 N D:TYR39 3.3 19.9 1.0 N D:LEU40 3.4 21.7 1.0 O D:HOH1204 3.4 32.3 1.0 CD1 C:LEU15 3.9 26.1 1.0 CA D:TYR39 4.0 14.5 1.0 C D:TYR39 4.1 19.9 1.0 CB D:TYR39 4.2 16.4 1.0 CD D:ARG38 4.2 36.7 1.0 CB D:LEU40 4.2 26.2 1.0 CA D:LEU40 4.3 29.1 1.0 O D:LEU40 4.3 19.1 1.0 CG C:PRO191 4.3 18.8 1.0 C D:ARG38 4.4 21.2 1.0 CG D:LEU40 4.4 23.3 1.0 CB C:PRO191 4.5 25.6 1.0 CA D:ARG38 4.5 15.1 1.0 CD1 D:TYR39 4.5 16.2 1.0 CG D:TYR39 4.7 19.2 1.0 O D:GLY37 4.8 27.5 1.0 C D:LEU40 4.8 23.9 1.0

E.S.Burgie, J.B.Thoden, H.M.Holden. Molecular Architecture of Desv From Streptomyces Venezuelae: A Plp-Dependent Transaminase Involved in the Biosynthesis of the Unusual Sugar Desosamine. Protein Sci. V. 16 887 2007.
ISSN: ISSN 0961-8368
PubMed: 17456741
DOI: 10.1110/PS.062711007