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Chlorine in PDB 2qdy: Crystal Structure of Fe-Type Nhase From Rhodococcus Erythropolis AJ270

Enzymatic activity of Crystal Structure of Fe-Type Nhase From Rhodococcus Erythropolis AJ270

All present enzymatic activity of Crystal Structure of Fe-Type Nhase From Rhodococcus Erythropolis AJ270:
4.2.1.84;

Protein crystallography data

The structure of Crystal Structure of Fe-Type Nhase From Rhodococcus Erythropolis AJ270, PDB code: 2qdy was solved by L.Song, J.Shi, Z.Xue, M.-X.Wang, S.Qian, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.30 / 1.30
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 114.064, 60.068, 81.761, 90.00, 125.15, 90.00
R / Rfree (%) 12.9 / 15.7

Other elements in 2qdy:

The structure of Crystal Structure of Fe-Type Nhase From Rhodococcus Erythropolis AJ270 also contains other interesting chemical elements:

Magnesium (Mg) 3 atoms
Iron (Fe) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Fe-Type Nhase From Rhodococcus Erythropolis AJ270 (pdb code 2qdy). 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 Fe-Type Nhase From Rhodococcus Erythropolis AJ270, PDB code: 2qdy:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 2qdy

Go back to Chlorine Binding Sites List in 2qdy
Chlorine binding site 1 out of 4 in the Crystal Structure of Fe-Type Nhase From Rhodococcus Erythropolis AJ270


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 Fe-Type Nhase From Rhodococcus Erythropolis AJ270 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl2002

b:21.3
occ:1.00
 OG A:SER20 2.8 11.6 0.8
O B:HOH2245 3.2 28.6 1.0
NE1 A:TRP24 3.3 10.9 1.0
N B:TRP32 3.5 11.4 1.0
CB B:GLU31 3.6 15.6 1.0
CD1 B:TRP32 3.7 10.5 1.0
CB A:SER20 3.7 8.6 0.2
O B:HOH2241 3.7 30.5 1.0
CB A:SER20 3.7 9.6 0.8
C B:GLU31 3.9 13.3 1.0
CB B:TRP32 3.9 9.7 1.0
CD1 A:TRP24 3.9 10.2 1.0
CA B:GLU31 4.0 14.7 1.0
N B:GLU31 4.0 14.5 1.0
CG B:TRP32 4.2 9.7 1.0
CA B:TRP32 4.2 10.7 1.0
CE2 A:TRP24 4.5 10.4 1.0
O B:GLU31 4.7 15.0 1.0
CA A:SER20 4.7 7.9 0.8
CA A:SER20 4.7 8.1 0.2
OG A:SER20 4.7 8.5 0.2
CG B:GLU31 4.7 20.4 1.0
NE1 B:TRP32 4.9 10.3 1.0
O A:HOH2066 4.9 21.1 1.0

Chlorine binding site 2 out of 4 in 2qdy

Go back to Chlorine Binding Sites List in 2qdy
Chlorine binding site 2 out of 4 in the Crystal Structure of Fe-Type Nhase From Rhodococcus Erythropolis AJ270


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 Fe-Type Nhase From Rhodococcus Erythropolis AJ270 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl2004

b:31.9
occ:1.00
 O A:HOH2207 2.8 37.0 1.0
N A:ARG175 3.1 15.2 1.0
O A:HOH2191 3.1 24.5 1.0
CA A:GLN174 3.7 12.9 1.0
O A:HOH2257 3.7 33.2 1.0
C A:GLN174 3.9 14.5 1.0
CB A:ARG175 3.9 15.2 1.0
CB A:GLN174 4.0 14.6 1.0
CA A:ARG175 4.1 15.1 1.0
O A:ARG175 4.3 16.1 1.0
O A:HOH2128 4.4 32.2 1.0
CG A:GLN174 4.6 16.8 1.0
O A:HOH2044 4.6 15.9 1.0
NH1 A:ARG71 4.7 24.2 1.0
C A:ARG175 4.7 15.1 1.0
NH2 A:ARG71 4.8 23.7 1.0
O A:HOH2162 4.8 31.1 1.0
NE2 A:GLN174 4.9 20.2 1.0
O A:PRO173 4.9 12.2 1.0
NE1 A:TRP65 4.9 11.4 1.0
O A:HOH2200 4.9 30.5 1.0
N A:GLN174 5.0 12.5 1.0

Chlorine binding site 3 out of 4 in 2qdy

Go back to Chlorine Binding Sites List in 2qdy
Chlorine binding site 3 out of 4 in the Crystal Structure of Fe-Type Nhase From Rhodococcus Erythropolis AJ270


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 Fe-Type Nhase From Rhodococcus Erythropolis AJ270 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl2001

b:20.5
occ:1.00
 O B:HOH2337 2.9 35.6 1.0
OG1 B:THR121 3.0 21.8 1.0
O B:HOH2069 3.3 18.7 1.0
NH2 B:ARG132 3.3 9.4 0.5
O B:LEU208 3.6 11.3 1.0
CB B:THR121 3.8 19.1 1.0
CD B:PRO210 3.8 13.0 1.0
N B:THR121 3.8 18.8 1.0
CA B:GLU209 3.8 12.0 1.0
C B:THR120 4.1 20.2 1.0
CA B:THR120 4.1 20.3 1.0
CB B:GLU209 4.2 12.9 1.0
CZ B:PHE123 4.3 18.4 1.0
CZ B:ARG132 4.4 9.2 0.5
CA B:THR121 4.4 19.3 1.0
C B:LEU208 4.5 10.4 1.0
NE B:ARG132 4.6 12.5 1.0
O B:HOH2309 4.6 39.1 1.0
N B:GLU209 4.7 11.2 1.0
O B:GLU119 4.7 22.2 1.0
N B:PRO210 4.7 12.5 1.0
C B:GLU209 4.8 12.2 1.0
O B:THR120 4.9 22.0 1.0
CG B:PRO210 4.9 14.7 1.0
CE1 B:PHE123 4.9 17.7 1.0
N B:THR120 5.0 21.4 1.0

Chlorine binding site 4 out of 4 in 2qdy

Go back to Chlorine Binding Sites List in 2qdy
Chlorine binding site 4 out of 4 in the Crystal Structure of Fe-Type Nhase From Rhodococcus Erythropolis AJ270


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 Fe-Type Nhase From Rhodococcus Erythropolis AJ270 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl2003

b:18.5
occ:1.00
 O B:HOH2182 3.0 34.6 1.0
OG B:SER192 3.2 18.1 1.0
N B:SER192 3.2 12.1 1.0
CA B:GLY191 3.8 11.3 1.0
CB B:SER192 3.9 15.7 1.0
C B:GLY191 4.0 11.5 1.0
CA B:SER192 4.1 13.5 1.0
O B:PHE190 4.7 9.5 1.0
N B:ASP193 4.7 11.5 1.0
C B:SER192 4.9 14.2 1.0
N B:GLY191 5.0 10.2 1.0

Reference:

L.Song, M.Wang, J.Shi, Z.Xue, M.-X.Wang, S.Qian. High Resolution X-Ray Molecular Structure of the Nitrile Hydratase From Rhodococcus Erythropolis AJ270 Reveals Posttranslational Oxidation of Two Cysteines Into Sulfinic Acids and A Novel Biocatalytic Nitrile Hydration Mechanism Biochem.Biophys.Res.Commun. V. 362 319 2007.
ISSN: ISSN 0006-291X
PubMed: 17716629
DOI: 10.1016/J.BBRC.2007.07.184
Page generated: Sat Dec 12 09:16:52 2020

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