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Chlorine in PDB 2avf: Crystal Structure of C-Terminal Desundecapeptide Nitrite Reductase From Achromobacter Cycloclastes

Enzymatic activity of Crystal Structure of C-Terminal Desundecapeptide Nitrite Reductase From Achromobacter Cycloclastes

All present enzymatic activity of Crystal Structure of C-Terminal Desundecapeptide Nitrite Reductase From Achromobacter Cycloclastes:
1.7.2.1;

Protein crystallography data

The structure of Crystal Structure of C-Terminal Desundecapeptide Nitrite Reductase From Achromobacter Cycloclastes, PDB code: 2avf was solved by H.T.Li, T.Chang, W.C.Chang, C.J.Chen, M.Y.Liu, L.L.Gui, J.P.Zhang, X.M.An, W.R.Chang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.60
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 85.783, 111.072, 122.884, 90.00, 101.67, 90.00
R / Rfree (%) 18.2 / 21.7

Other elements in 2avf:

The structure of Crystal Structure of C-Terminal Desundecapeptide Nitrite Reductase From Achromobacter Cycloclastes also contains other interesting chemical elements:

Copper (Cu) 12 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of C-Terminal Desundecapeptide Nitrite Reductase From Achromobacter Cycloclastes (pdb code 2avf). 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 C-Terminal Desundecapeptide Nitrite Reductase From Achromobacter Cycloclastes, PDB code: 2avf:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 2avf

Go back to Chlorine Binding Sites List in 2avf
Chlorine binding site 1 out of 6 in the Crystal Structure of C-Terminal Desundecapeptide Nitrite Reductase From Achromobacter Cycloclastes


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 C-Terminal Desundecapeptide Nitrite Reductase From Achromobacter Cycloclastes within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl601

b:27.0
occ:1.00
CU A:CU502 2.2 16.3 1.0
NE2 A:HIS100 3.4 21.0 1.0
NE2 B:HIS255 3.4 17.5 1.0
CD2 B:HIS255 3.5 17.6 1.0
NE2 B:HIS306 3.5 20.1 1.0
NE2 A:HIS135 3.5 14.9 1.0
CG1 B:ILE257 3.6 20.3 1.0
OD2 A:ASP98 3.7 42.2 1.0
CE1 A:HIS135 3.7 16.6 1.0
CD1 B:ILE257 3.8 20.2 1.0
CG2 B:ILE257 3.9 17.4 1.0
CD2 A:HIS100 4.0 22.3 1.0
O B:HOH612 4.0 20.8 1.0
CD2 B:HIS306 4.1 21.6 1.0
CG A:ASP98 4.1 39.3 1.0
OD1 A:ASP98 4.1 40.0 1.0
CB B:ILE257 4.2 19.6 1.0
CA B:ILE257 4.5 21.1 1.0
CE1 B:HIS255 4.5 19.4 1.0
CE1 A:HIS100 4.5 21.9 1.0
CG B:HIS255 4.6 19.2 1.0
CE1 B:HIS306 4.6 21.3 1.0
CD2 A:HIS135 4.8 16.0 1.0

Chlorine binding site 2 out of 6 in 2avf

Go back to Chlorine Binding Sites List in 2avf
Chlorine binding site 2 out of 6 in the Crystal Structure of C-Terminal Desundecapeptide Nitrite Reductase From Achromobacter Cycloclastes


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 C-Terminal Desundecapeptide Nitrite Reductase From Achromobacter Cycloclastes within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl602

b:29.4
occ:1.00
CU B:CU502 2.2 14.3 1.0
NE2 B:HIS100 3.4 15.8 1.0
NE2 B:HIS135 3.6 20.9 1.0
CG1 C:ILE257 3.6 18.0 1.0
NE2 C:HIS255 3.6 23.0 1.0
CD2 C:HIS255 3.7 21.8 1.0
NE2 C:HIS306 3.8 17.4 1.0
CD1 C:ILE257 3.8 17.5 1.0
CG2 C:ILE257 3.9 17.4 1.0
CE1 B:HIS135 4.0 19.9 1.0
OD2 B:ASP98 4.0 45.6 1.0
CD2 B:HIS100 4.0 17.6 1.0
O C:HOH612 4.1 14.6 1.0
CB C:ILE257 4.2 18.9 1.0
CD2 C:HIS306 4.3 17.9 1.0
OD1 B:ASP98 4.3 42.9 1.0
CG B:ASP98 4.3 43.4 1.0
CA C:ILE257 4.5 20.3 1.0
CE1 B:HIS100 4.5 15.4 1.0
CE1 C:HIS255 4.6 22.1 1.0
CG C:HIS255 4.7 20.6 1.0
CD2 B:HIS135 4.8 20.6 1.0
CE1 C:HIS306 4.9 17.9 1.0

Chlorine binding site 3 out of 6 in 2avf

Go back to Chlorine Binding Sites List in 2avf
Chlorine binding site 3 out of 6 in the Crystal Structure of C-Terminal Desundecapeptide Nitrite Reductase From Achromobacter Cycloclastes


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 C-Terminal Desundecapeptide Nitrite Reductase From Achromobacter Cycloclastes within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl603

b:26.7
occ:1.00
CU C:CU502 2.2 16.8 1.0
OD2 C:ASP98 3.2 34.7 1.0
NE2 C:HIS135 3.4 13.5 1.0
NE2 C:HIS100 3.5 14.8 1.0
NE2 A:HIS306 3.5 12.0 1.0
NE2 A:HIS255 3.5 20.2 1.0
CD2 A:HIS255 3.6 20.6 1.0
CG1 A:ILE257 3.6 21.7 1.0
CE1 C:HIS135 3.8 13.3 1.0
CD1 A:ILE257 3.8 20.7 1.0
O A:HOH540 3.9 18.8 1.0
CG C:ASP98 4.0 33.5 1.0
CD2 A:HIS306 4.0 13.7 1.0
CD2 C:HIS100 4.1 16.6 1.0
CG2 A:ILE257 4.2 18.8 1.0
OD1 C:ASP98 4.3 34.4 1.0
CB A:ILE257 4.3 21.2 1.0
CE1 C:HIS100 4.5 15.1 1.0
CE1 A:HIS255 4.6 20.6 1.0
CD2 C:HIS135 4.6 12.2 1.0
CE1 A:HIS306 4.7 13.7 1.0
CA A:ILE257 4.7 21.8 1.0
CG A:HIS255 4.7 21.4 1.0

Chlorine binding site 4 out of 6 in 2avf

Go back to Chlorine Binding Sites List in 2avf
Chlorine binding site 4 out of 6 in the Crystal Structure of C-Terminal Desundecapeptide Nitrite Reductase From Achromobacter Cycloclastes


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 C-Terminal Desundecapeptide Nitrite Reductase From Achromobacter Cycloclastes within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl604

b:31.5
occ:1.00
CU D:CU502 2.0 17.1 1.0
NE2 E:HIS306 3.2 16.5 1.0
NE2 D:HIS100 3.3 27.5 1.0
NE2 D:HIS135 3.5 25.3 1.0
CD2 E:HIS255 3.7 26.5 1.0
NE2 E:HIS255 3.7 27.6 1.0
CD2 E:HIS306 3.7 18.4 1.0
OD2 D:ASP98 3.8 48.2 1.0
CG1 E:ILE257 3.8 30.8 1.0
CE1 D:HIS135 3.8 25.2 1.0
CD1 E:ILE257 4.0 30.6 1.0
CD2 D:HIS100 4.0 26.9 1.0
O E:HOH528 4.3 23.4 1.0
CE1 D:HIS100 4.4 26.9 1.0
CE1 E:HIS306 4.4 14.1 1.0
CG2 E:ILE257 4.4 30.3 1.0
CE1 E:HIS255 4.5 28.4 1.0
CG E:HIS255 4.5 24.8 1.0
CB E:ILE257 4.6 31.0 1.0
CD2 D:HIS135 4.8 24.6 1.0
CG D:ASP98 4.8 47.9 1.0
CA E:ILE257 4.9 30.8 1.0
ND1 E:HIS255 5.0 27.9 1.0

Chlorine binding site 5 out of 6 in 2avf

Go back to Chlorine Binding Sites List in 2avf
Chlorine binding site 5 out of 6 in the Crystal Structure of C-Terminal Desundecapeptide Nitrite Reductase From Achromobacter Cycloclastes


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 C-Terminal Desundecapeptide Nitrite Reductase From Achromobacter Cycloclastes within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl605

b:22.1
occ:1.00
CU E:CU502 2.1 16.3 1.0
NE2 E:HIS100 3.1 16.8 1.0
NE2 F:HIS306 3.4 13.0 1.0
CD2 F:HIS255 3.5 17.6 1.0
NE2 F:HIS255 3.5 19.4 1.0
NE2 E:HIS135 3.6 14.8 1.0
CG1 F:ILE257 3.6 21.6 1.0
CD2 E:HIS100 3.7 15.8 1.0
CE1 E:HIS135 3.9 16.2 1.0
CD1 F:ILE257 3.9 20.3 1.0
CD2 F:HIS306 3.9 13.9 1.0
OD2 E:ASP98 3.9 46.6 1.0
O F:HOH614 3.9 22.5 1.0
CG2 F:ILE257 3.9 17.8 1.0
OD1 E:ASP98 4.1 43.4 1.0
CG E:ASP98 4.2 42.8 1.0
CE1 E:HIS100 4.2 14.9 1.0
CB F:ILE257 4.2 20.8 1.0
CG F:HIS255 4.5 17.7 1.0
CE1 F:HIS255 4.5 16.9 1.0
CA F:ILE257 4.5 20.6 1.0
CE1 F:HIS306 4.6 15.0 1.0
CD2 E:HIS135 4.8 14.0 1.0
CG E:HIS100 4.9 15.8 1.0
ND1 F:HIS255 5.0 18.9 1.0

Chlorine binding site 6 out of 6 in 2avf

Go back to Chlorine Binding Sites List in 2avf
Chlorine binding site 6 out of 6 in the Crystal Structure of C-Terminal Desundecapeptide Nitrite Reductase From Achromobacter Cycloclastes


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 C-Terminal Desundecapeptide Nitrite Reductase From Achromobacter Cycloclastes within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl606

b:28.9
occ:1.00
CU F:CU502 2.1 12.2 1.0
OD2 F:ASP98 3.2 34.2 1.0
NE2 F:HIS100 3.3 15.3 1.0
NE2 D:HIS255 3.5 14.6 1.0
NE2 D:HIS306 3.5 12.3 1.0
CD2 D:HIS255 3.6 14.3 1.0
NE2 F:HIS135 3.6 17.8 1.0
CG1 D:ILE257 3.6 20.5 1.0
O D:HOH607 3.9 16.0 1.0
CD2 F:HIS100 3.9 14.1 1.0
CE1 F:HIS135 3.9 19.4 1.0
CD1 D:ILE257 3.9 17.2 1.0
CD2 D:HIS306 4.0 16.1 1.0
CG2 D:ILE257 4.0 17.5 1.0
CB D:ILE257 4.3 20.6 1.0
CG F:ASP98 4.3 32.2 1.0
CE1 F:HIS100 4.3 17.1 1.0
CE1 D:HIS255 4.4 11.0 1.0
CA D:ILE257 4.5 21.1 1.0
CG D:HIS255 4.6 14.6 1.0
OD1 F:ASP98 4.7 33.4 1.0
CE1 D:HIS306 4.7 16.6 1.0
CD2 F:HIS135 4.8 18.3 1.0
O F:GLY107 4.8 59.9 1.0

Reference:

H.T.Li, T.Chang, W.C.Chang, C.J.Chen, M.Y.Liu, L.L.Gui, J.P.Zhang, X.M.An, W.R.Chang. Crystal Structure of C-Terminal Desundecapeptide Nitrite Reductase From Achromobacter Cycloclastes Biochem.Biophys.Res.Commun. V. 338 1935 2005.
ISSN: ISSN 0006-291X
PubMed: 16293231
DOI: 10.1016/J.BBRC.2005.09.199
Page generated: Sat Jul 20 05:26:52 2024

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