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Chlorine in PDB 7dlh: Crystallization of Cationic Peroxidase From Proso Millet and Identification of Its Phosphatase Active Sites

Protein crystallography data

The structure of Crystallization of Cationic Peroxidase From Proso Millet and Identification of Its Phosphatase Active Sites, PDB code: 7dlh was solved by X.D.Cui, T.F.Wang, K.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.64 / 1.79
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 56.298, 112.665, 111.585, 90, 90, 90
R / Rfree (%) 17.1 / 20.5

Other elements in 7dlh:

The structure of Crystallization of Cationic Peroxidase From Proso Millet and Identification of Its Phosphatase Active Sites also contains other interesting chemical elements:

Calcium (Ca) 1 atom
Sodium (Na) 1 atom
Iron (Fe) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystallization of Cationic Peroxidase From Proso Millet and Identification of Its Phosphatase Active Sites (pdb code 7dlh). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystallization of Cationic Peroxidase From Proso Millet and Identification of Its Phosphatase Active Sites, PDB code: 7dlh:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 7dlh

Go back to Chlorine Binding Sites List in 7dlh
Chlorine binding site 1 out of 3 in the Crystallization of Cationic Peroxidase From Proso Millet and Identification of Its Phosphatase Active Sites


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystallization of Cationic Peroxidase From Proso Millet and Identification of Its Phosphatase Active Sites within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl406

b:17.7
occ:1.00
O A:HOH735 3.2 17.5 1.0
CB A:ARG103 3.8 11.1 1.0
CA A:ARG100 3.9 10.3 1.0
CG A:ARG100 3.9 18.1 1.0
O A:ASP99 4.0 12.1 1.0
CG A:ARG103 4.2 9.5 1.0
N A:ARG100 4.3 8.3 1.0
C A:ASP99 4.3 11.2 1.0
O A:HOH824 4.4 17.9 1.0
O A:HOH667 4.4 14.7 1.0
CB A:ARG100 4.4 11.0 1.0
NH2 A:ARG100 4.7 15.4 1.0
O A:HOH803 4.8 25.0 1.0
CD A:ARG103 4.9 14.6 1.0
CB A:ASP99 4.9 11.8 1.0
C A:ARG100 5.0 12.0 1.0

Chlorine binding site 2 out of 3 in 7dlh

Go back to Chlorine Binding Sites List in 7dlh
Chlorine binding site 2 out of 3 in the Crystallization of Cationic Peroxidase From Proso Millet and Identification of Its Phosphatase Active Sites


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystallization of Cationic Peroxidase From Proso Millet and Identification of Its Phosphatase Active Sites within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl407

b:39.5
occ:1.00
O A:HOH827 3.1 33.1 1.0
CE1 A:HIS191 3.5 12.6 1.0
O A:GLY223 3.6 20.6 1.0
CB A:ASP225 3.9 13.3 1.0
CA A:ASP225 3.9 16.7 1.0
CG2 A:THR193 4.1 13.9 1.0
N A:ASP225 4.1 13.9 1.0
C A:GLY223 4.1 17.8 1.0
O A:THR224 4.1 11.7 1.0
NE2 A:HIS191 4.1 11.8 1.0
C A:THR224 4.2 18.8 1.0
OD1 A:ASP225 4.3 18.0 1.0
CG A:PRO82 4.4 21.1 1.0
CG A:ASP225 4.4 19.6 1.0
CA A:GLY223 4.5 15.6 1.0
ND1 A:HIS191 4.6 9.5 1.0
N A:THR224 4.8 15.2 1.0
O A:HOH574 4.9 22.9 1.0

Chlorine binding site 3 out of 3 in 7dlh

Go back to Chlorine Binding Sites List in 7dlh
Chlorine binding site 3 out of 3 in the Crystallization of Cationic Peroxidase From Proso Millet and Identification of Its Phosphatase Active Sites


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystallization of Cationic Peroxidase From Proso Millet and Identification of Its Phosphatase Active Sites within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl408

b:31.0
occ:0.50
NE2 A:GLN276 3.4 11.9 1.0
CD2 A:PHE280 3.8 12.4 1.0
CE2 A:PHE280 3.9 7.4 1.0
CG A:GLN276 4.0 11.3 1.0
CD A:GLN276 4.2 9.5 1.0
N A:LYS277 4.4 8.4 1.0
CA A:LYS277 4.4 11.0 1.0
CG A:PHE280 4.6 9.6 1.0
CB A:GLN276 4.6 9.5 1.0
C A:GLN276 4.7 11.2 1.0
CB A:LYS277 4.8 13.9 1.0
CZ A:PHE280 4.9 9.9 1.0
O A:GLN276 4.9 8.3 1.0
CD A:LYS277 5.0 17.4 1.0

Reference:

X.D.Cui, T.F.Wang. Crystallization of Cationic Peroxidase From Proso Millet and Identification of Its Phosphatase Active Sites To Be Published.
Page generated: Fri Dec 17 08:50:10 2021

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