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Chlorine in PDB 3ojn: Structure of Mn-Substituted Homoprotocatechuate 2,3-Dioxygenase at 1.65 Ang Resolution

Enzymatic activity of Structure of Mn-Substituted Homoprotocatechuate 2,3-Dioxygenase at 1.65 Ang Resolution

All present enzymatic activity of Structure of Mn-Substituted Homoprotocatechuate 2,3-Dioxygenase at 1.65 Ang Resolution:
1.13.11.15;

Protein crystallography data

The structure of Structure of Mn-Substituted Homoprotocatechuate 2,3-Dioxygenase at 1.65 Ang Resolution, PDB code: 3ojn was solved by A.J.Fielding, E.G.Kovaleva, E.R.Farquhar, J.D.Lipscomb, L.Que Jr., with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.77 / 1.65
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 110.542, 151.497, 96.359, 90.00, 90.00, 90.00
R / Rfree (%) 14.8 / 17.7

Other elements in 3ojn:

The structure of Structure of Mn-Substituted Homoprotocatechuate 2,3-Dioxygenase at 1.65 Ang Resolution also contains other interesting chemical elements:

Manganese (Mn) 4 atoms
Calcium (Ca) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of Mn-Substituted Homoprotocatechuate 2,3-Dioxygenase at 1.65 Ang Resolution (pdb code 3ojn). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Structure of Mn-Substituted Homoprotocatechuate 2,3-Dioxygenase at 1.65 Ang Resolution, PDB code: 3ojn:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 3ojn

Go back to Chlorine Binding Sites List in 3ojn
Chlorine binding site 1 out of 4 in the Structure of Mn-Substituted Homoprotocatechuate 2,3-Dioxygenase at 1.65 Ang Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Mn-Substituted Homoprotocatechuate 2,3-Dioxygenase at 1.65 Ang Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl367

b:18.5
occ:1.00
 NH1 A:ARG293 3.2 19.0 1.0
NH1 A:ARG243 3.2 16.7 1.0
O A:HOH1540 3.2 20.6 1.0
CE1 A:HIS248 3.3 17.0 1.0
NH2 A:ARG243 3.3 16.7 1.0
ND1 A:HIS248 3.3 13.8 1.0
CB A:ARG293 3.4 14.3 1.0
CG A:ARG293 3.5 15.3 1.0
CD A:ARG293 3.6 15.8 1.0
CZ A:ARG243 3.7 17.0 1.0
CA A:ARG293 3.7 13.7 1.0
O A:ARG293 3.7 14.7 1.0
OH A:TYR257 4.0 15.3 1.0
C A:ARG293 4.1 13.5 1.0
CH2 A:TRP304 4.1 18.1 1.0
CZ A:ARG293 4.2 14.9 1.0
CZ2 A:TRP304 4.2 17.5 1.0
NE A:ARG293 4.3 14.4 1.0
NE2 A:HIS248 4.4 15.6 1.0
O A:HOH1519 4.4 16.4 1.0
CG A:HIS248 4.6 14.1 1.0
CZ3 A:TRP304 4.8 19.8 1.0
CZ A:TYR257 5.0 15.4 1.0

Chlorine binding site 2 out of 4 in 3ojn

Go back to Chlorine Binding Sites List in 3ojn
Chlorine binding site 2 out of 4 in the Structure of Mn-Substituted Homoprotocatechuate 2,3-Dioxygenase at 1.65 Ang Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Mn-Substituted Homoprotocatechuate 2,3-Dioxygenase at 1.65 Ang Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl370

b:16.8
occ:1.00
 NH1 B:ARG293 3.2 14.3 1.0
O B:HOH1535 3.3 21.0 1.0
NH1 B:ARG243 3.3 15.2 1.0
CE1 B:HIS248 3.3 13.0 1.0
NH2 B:ARG243 3.3 13.3 1.0
ND1 B:HIS248 3.4 13.3 1.0
CB B:ARG293 3.5 13.2 1.0
CG B:ARG293 3.5 13.6 1.0
CD B:ARG293 3.6 15.8 1.0
CZ B:ARG243 3.7 13.4 1.0
CA B:ARG293 3.8 11.9 1.0
O B:ARG293 3.8 13.8 1.0
OH B:TYR257 4.0 13.4 1.0
CH2 B:TRP304 4.0 19.9 1.0
C B:ARG293 4.1 12.8 1.0
CZ B:ARG293 4.2 13.4 1.0
CZ2 B:TRP304 4.2 19.7 1.0
NE B:ARG293 4.3 15.2 1.0
NE2 B:HIS248 4.4 12.3 1.0
CG B:HIS248 4.6 11.6 1.0
O B:HOH1521 4.7 14.2 1.0
CZ3 B:TRP304 4.8 21.9 1.0
CE2 B:TRP304 5.0 16.4 1.0
CZ B:TYR257 5.0 13.4 1.0

Chlorine binding site 3 out of 4 in 3ojn

Go back to Chlorine Binding Sites List in 3ojn
Chlorine binding site 3 out of 4 in the Structure of Mn-Substituted Homoprotocatechuate 2,3-Dioxygenase at 1.65 Ang Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Mn-Substituted Homoprotocatechuate 2,3-Dioxygenase at 1.65 Ang Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl368

b:18.0
occ:1.00
 O C:HOH1541 3.2 20.9 1.0
NH1 C:ARG293 3.2 15.8 1.0
CE1 C:HIS248 3.2 14.2 1.0
NH1 C:ARG243 3.3 15.4 1.0
NH2 C:ARG243 3.3 16.2 1.0
ND1 C:HIS248 3.4 13.8 1.0
CB C:ARG293 3.5 14.6 1.0
CD C:ARG293 3.6 15.8 1.0
CG C:ARG293 3.6 15.1 1.0
CZ C:ARG243 3.8 16.6 1.0
CA C:ARG293 3.8 14.4 1.0
O C:ARG293 3.8 14.6 1.0
OH C:TYR257 4.0 12.7 1.0
CH2 C:TRP304 4.1 17.7 1.0
C C:ARG293 4.1 13.7 1.0
CZ C:ARG293 4.2 14.2 1.0
CZ2 C:TRP304 4.3 18.0 1.0
NE C:ARG293 4.4 14.6 1.0
NE2 C:HIS248 4.4 13.7 1.0
CG C:HIS248 4.6 12.0 1.0
O C:HOH1525 4.7 14.2 1.0
CZ3 C:TRP304 4.7 19.4 1.0

Chlorine binding site 4 out of 4 in 3ojn

Go back to Chlorine Binding Sites List in 3ojn
Chlorine binding site 4 out of 4 in the Structure of Mn-Substituted Homoprotocatechuate 2,3-Dioxygenase at 1.65 Ang Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of Mn-Substituted Homoprotocatechuate 2,3-Dioxygenase at 1.65 Ang Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl368

b:16.4
occ:1.00
 CE1 D:HIS248 3.2 13.1 1.0
NH1 D:ARG293 3.3 12.4 1.0
O D:HOH1536 3.3 21.7 1.0
NH1 D:ARG243 3.3 17.1 1.0
ND1 D:HIS248 3.3 13.0 1.0
NH2 D:ARG243 3.3 13.0 1.0
CB D:ARG293 3.5 11.4 1.0
CG D:ARG293 3.6 13.4 1.0
CD D:ARG293 3.6 14.1 1.0
O D:ARG293 3.7 12.3 1.0
CZ D:ARG243 3.7 14.3 1.0
CA D:ARG293 3.8 11.0 1.0
OH D:TYR257 4.0 14.4 1.0
CH2 D:TRP304 4.1 18.7 1.0
C D:ARG293 4.1 10.7 1.0
CZ2 D:TRP304 4.2 15.3 1.0
CZ D:ARG293 4.3 12.2 1.0
NE2 D:HIS248 4.4 10.6 1.0
NE D:ARG293 4.4 12.2 1.0
CG D:HIS248 4.5 11.7 1.0
O D:HOH1522 4.6 14.3 1.0
CZ3 D:TRP304 4.8 19.2 1.0
CZ D:TYR257 5.0 13.2 1.0

Reference:

A.J.Fielding, E.G.Kovaleva, E.R.Farquhar, J.D.Lipscomb, L.Que. A Hyperactive Cobalt-Substituted Extradiol-Cleaving Catechol Dioxygenase. J.Biol.Inorg.Chem. V. 16 341 2011.
ISSN: ISSN 0949-8257
PubMed: 21153851
DOI: 10.1007/S00775-010-0732-0
Page generated: Sun Jul 21 01:42:51 2024

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