Chlorine in PDB 3gob: Crystal Structure of Dicamba Monooxygenase with Non-Heme Cobalt and Dcsa

The structure of Crystal Structure of Dicamba Monooxygenase with Non-Heme Cobalt and Dcsa, PDB code: 3gob was solved by T.J.Rydel, E.J.Sturman, F.Moshiri, G.R.Brown, Y.Qi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.05
Space group	P 32
Cell size a, b, c (Å), α, β, γ (°)	81.010, 81.010, 161.050, 90.00, 90.00, 120.00
R / Rfree (%)	n/a / n/a

The structure of Crystal Structure of Dicamba Monooxygenase with Non-Heme Cobalt and Dcsa also contains other interesting chemical elements:

Cobalt	(Co)	8 atoms
Iron	(Fe)	6 atoms

The binding sites of Chlorine atom in the Crystal Structure of Dicamba Monooxygenase with Non-Heme Cobalt and Dcsa (pdb code 3gob). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Crystal Structure of Dicamba Monooxygenase with Non-Heme Cobalt and Dcsa, PDB code: 3gob:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in the Crystal Structure of Dicamba Monooxygenase with Non-Heme Cobalt and Dcsa


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 Dicamba Monooxygenase with Non-Heme Cobalt and Dcsa within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:89.9 occ:1.00 CL1 A:HXX601 0.0 89.9 1.0 C3 A:HXX601 1.7 89.8 1.0 C4 A:HXX601 2.7 89.5 1.0 C2 A:HXX601 2.8 89.9 1.0 O2 A:HXX601 3.1 89.6 1.0 CD1 A:ILE232 4.0 41.6 1.0 C5 A:HXX601 4.1 89.3 1.0 C1 A:HXX601 4.2 89.2 1.0 ND2 A:ASN218 4.3 43.8 1.0 CG1 A:ILE232 4.4 40.5 1.0 CG2 A:ILE232 4.4 41.1 1.0 C6 A:HXX601 4.7 89.3 1.0 CB A:ALA169 4.7 86.6 1.0

Chlorine binding site 2 out of 6 in the Crystal Structure of Dicamba Monooxygenase with Non-Heme Cobalt and Dcsa


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 Dicamba Monooxygenase with Non-Heme Cobalt and Dcsa within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:88.3 occ:1.00 CL2 A:HXX601 0.0 88.3 1.0 C6 A:HXX601 1.8 89.3 1.0 C5 A:HXX601 2.7 89.3 1.0 C1 A:HXX601 2.9 89.2 1.0 O A:HOH1162 3.2 52.8 1.0 C1' A:HXX601 3.2 88.4 1.0 O1' A:HXX601 3.5 87.6 1.0 O2' A:HXX601 3.9 89.0 1.0 OG A:SER247 4.0 45.8 1.0 C4 A:HXX601 4.1 89.5 1.0 OG A:SER267 4.1 44.7 1.0 C2 A:HXX601 4.2 89.9 1.0 NE2 A:GLN286 4.3 37.0 1.0 CD2 A:LEU282 4.4 42.2 1.0 CG A:GLN286 4.4 39.0 1.0 CB A:SER267 4.4 38.2 1.0 CD A:GLN286 4.6 39.6 1.0 CB A:SER247 4.7 42.3 1.0 C3 A:HXX601 4.7 89.8 1.0

Chlorine binding site 3 out of 6 in the Crystal Structure of Dicamba Monooxygenase with Non-Heme Cobalt and Dcsa


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 Dicamba Monooxygenase with Non-Heme Cobalt and Dcsa within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl601 b:52.7 occ:1.00 CL1 B:HXX601 0.0 52.7 1.0 C3 B:HXX601 1.7 54.1 1.0 C4 B:HXX601 2.7 52.6 1.0 C2 B:HXX601 2.8 53.0 1.0 O2 B:HXX601 3.1 53.7 1.0 CB B:ALA161 3.9 37.3 1.0 O B:HOH863 4.0 31.8 1.0 C5 B:HXX601 4.1 53.3 1.0 C1 B:HXX601 4.2 51.7 1.0 CD2 B:LEU158 4.3 51.2 1.0 O B:LEU158 4.4 48.0 1.0 CZ2 B:TRP285 4.5 57.6 1.0 CD1 B:ILE232 4.5 50.3 1.0 C6 B:HXX601 4.7 52.7 1.0 CB B:LEU158 4.8 49.0 1.0 CH2 B:TRP285 4.9 57.7 1.0 CD2 B:HIS165 4.9 36.3 1.0

Chlorine binding site 4 out of 6 in the Crystal Structure of Dicamba Monooxygenase with Non-Heme Cobalt and Dcsa


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 Dicamba Monooxygenase with Non-Heme Cobalt and Dcsa within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl601 b:51.4 occ:1.00 CL2 B:HXX601 0.0 51.4 1.0 C6 B:HXX601 1.8 52.7 1.0 C5 B:HXX601 2.7 53.3 1.0 C1 B:HXX601 2.8 51.7 1.0 C1' B:HXX601 3.2 48.8 1.0 O2' B:HXX601 3.5 50.5 1.0 NE1 B:TRP285 3.7 57.0 1.0 O1' B:HXX601 3.8 47.2 1.0 CD1 B:TRP285 3.9 55.9 1.0 O B:HOH849 4.0 40.2 1.0 CD2 B:LEU282 4.1 60.2 1.0 C4 B:HXX601 4.1 52.6 1.0 CZ B:PHE206 4.1 54.4 1.0 C2 B:HXX601 4.2 53.0 1.0 CD2 B:LEU202 4.3 49.3 1.0 CE2 B:TRP285 4.3 57.5 1.0 CG B:TRP285 4.5 56.3 1.0 CG1 B:ILE232 4.5 49.1 1.0 C3 B:HXX601 4.7 54.1 1.0 CE2 B:PHE206 4.7 56.4 1.0 OG B:SER247 4.7 45.8 1.0 CD2 B:TRP285 4.7 56.9 1.0 O B:HOH1127 4.8 43.7 1.0 CB B:ILE232 4.9 48.2 1.0 CZ2 B:TRP285 5.0 57.6 1.0

Chlorine binding site 5 out of 6 in the Crystal Structure of Dicamba Monooxygenase with Non-Heme Cobalt and Dcsa


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 Dicamba Monooxygenase with Non-Heme Cobalt and Dcsa within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl601 b:77.1 occ:1.00 CL1 C:HXX601 0.0 77.1 1.0 C3 C:HXX601 1.7 76.2 1.0 C4 C:HXX601 2.7 76.6 1.0 C2 C:HXX601 2.8 76.1 1.0 O2 C:HXX601 3.1 75.4 1.0 C5 C:HXX601 4.1 76.4 1.0 C1 C:HXX601 4.2 75.6 1.0 CZ2 C:TRP285 4.2 76.0 1.0 CD1 C:ILE232 4.4 48.1 1.0 ND2 C:ASN218 4.4 51.9 1.0 CH2 C:TRP285 4.6 75.3 1.0 C6 C:HXX601 4.7 75.7 1.0 CD1 C:LEU202 4.7 80.9 1.0

Chlorine binding site 6 out of 6 in the Crystal Structure of Dicamba Monooxygenase with Non-Heme Cobalt and Dcsa


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 Dicamba Monooxygenase with Non-Heme Cobalt and Dcsa within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl601 b:75.4 occ:1.00 CL2 C:HXX601 0.0 75.4 1.0 C6 C:HXX601 1.8 75.7 1.0 C5 C:HXX601 2.7 76.4 1.0 C1 C:HXX601 2.9 75.6 1.0 C1' C:HXX601 3.2 74.5 1.0 O1' C:HXX601 3.6 73.3 1.0 CD1 C:TRP285 3.6 75.2 1.0 NE1 C:TRP285 3.7 75.4 1.0 O2' C:HXX601 3.9 75.0 1.0 CZ C:PHE206 4.0 85.1 1.0 C4 C:HXX601 4.1 76.6 1.0 O C:HOH958 4.2 46.2 1.0 C2 C:HXX601 4.2 76.1 1.0 CE2 C:PHE206 4.3 85.0 1.0 OG C:SER247 4.4 49.6 1.0 CG C:TRP285 4.6 74.6 1.0 CD2 C:LEU282 4.6 68.3 1.0 C3 C:HXX601 4.7 76.2 1.0 CE2 C:TRP285 4.7 75.8 1.0 OG C:SER267 4.7 42.6 1.0 CB C:SER267 5.0 42.2 1.0

R.L.D'ordine, T.J.Rydel, M.J.Storek, E.J.Sturman, F.Moshiri, R.K.Bartlett, G.R.Brown, R.J.Eilers, C.Dart, Y.Qi, S.Flasinski, S.J.Franklin. Dicamba Monooxygenase: Structural Insights Into A Dynamic Rieske Oxygenase That Catalyzes An Exocyclic Monooxygenation. J.Mol.Biol. V. 392 481 2009.
ISSN: ISSN 0022-2836
PubMed: 19616009
DOI: 10.1016/J.JMB.2009.07.022