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Chlorine in PDB 3mc1: Crystal Structure of A Predicted Phosphatase From Clostridium Acetobutylicum

Protein crystallography data

The structure of Crystal Structure of A Predicted Phosphatase From Clostridium Acetobutylicum, PDB code: 3mc1 was solved by S.Eswaramoorthy, S.K.Burley, S.Swaminathan, New York Sgxresearch Center For Structural Genomics (Nysgxrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 1.93
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 63.938, 53.524, 64.182, 90.00, 97.10, 90.00
R / Rfree (%) 22.4 / 27.2

Other elements in 3mc1:

The structure of Crystal Structure of A Predicted Phosphatase From Clostridium Acetobutylicum also contains other interesting chemical elements:

Sodium (Na) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of A Predicted Phosphatase From Clostridium Acetobutylicum (pdb code 3mc1). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of A Predicted Phosphatase From Clostridium Acetobutylicum, PDB code: 3mc1:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 3mc1

Go back to Chlorine Binding Sites List in 3mc1
Chlorine binding site 1 out of 2 in the Crystal Structure of A Predicted Phosphatase From Clostridium Acetobutylicum


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 A Predicted Phosphatase From Clostridium Acetobutylicum within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:20.5
occ:1.00
OH A:TYR71 3.2 13.3 1.0
NZ A:LYS109 3.2 12.8 1.0
O A:HOH234 3.2 15.1 1.0
O3 A:GOL303 3.3 28.6 1.0
C3 A:GOL303 3.3 30.8 1.0
CE2 A:TYR71 3.6 12.2 1.0
CE A:LYS109 3.7 16.3 1.0
CG A:LYS109 3.8 14.0 1.0
CE2 A:PHE75 3.8 13.1 1.0
CZ A:TYR71 3.8 14.0 1.0
CZ A:PHE75 3.9 12.2 1.0
CD A:PRO110 3.9 13.3 1.0
CD2 A:PHE75 4.1 12.4 1.0
CD2 A:PHE113 4.2 14.8 1.0
CE1 A:PHE75 4.3 15.8 1.0
CD A:LYS109 4.4 10.7 1.0
CG A:PHE75 4.5 12.5 1.0
CD1 A:PHE75 4.6 12.1 1.0
CE2 A:PHE113 4.7 14.7 1.0
C2 A:GOL303 4.7 32.4 1.0
CB A:LYS109 4.8 12.5 1.0
CD2 A:TYR71 4.8 12.4 1.0
CD1 A:LEU49 4.8 19.0 1.0
CG A:PRO110 4.9 14.6 1.0

Chlorine binding site 2 out of 2 in 3mc1

Go back to Chlorine Binding Sites List in 3mc1
Chlorine binding site 2 out of 2 in the Crystal Structure of A Predicted Phosphatase From Clostridium Acetobutylicum


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 A Predicted Phosphatase From Clostridium Acetobutylicum within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl302

b:27.3
occ:1.00
N B:PHE125 3.4 20.8 1.0
N B:ALA124 3.5 21.5 1.0
CB B:ALA124 3.5 20.1 1.0
CA B:LYS122 3.6 26.0 1.0
C B:LYS122 3.6 25.4 1.0
CD2 B:PHE125 3.7 30.7 1.0
N B:LEU123 3.8 23.5 1.0
CA B:ALA124 3.8 20.1 1.0
O B:LYS122 4.0 25.1 1.0
CA B:GLU119 4.1 24.3 1.0
C B:ALA124 4.1 20.5 1.0
CB B:PHE125 4.1 26.4 1.0
O B:LEU118 4.2 20.3 1.0
C B:LEU123 4.2 21.7 1.0
CA B:PHE125 4.3 23.8 1.0
O B:GLU119 4.3 24.9 1.0
CG B:PHE125 4.4 29.7 1.0
CE B:LYS122 4.5 37.4 1.0
N B:LYS122 4.5 26.0 1.0
CG B:GLU119 4.5 28.8 1.0
CA B:LEU123 4.5 23.0 1.0
CB B:LYS122 4.5 28.4 1.0
NZ B:LYS122 4.6 39.3 1.0
C B:GLU119 4.7 25.2 1.0
CB B:GLU119 4.7 24.5 1.0
CE2 B:PHE125 4.8 31.2 1.0
CD B:LYS122 4.9 35.2 1.0
N B:GLU119 4.9 22.8 1.0
C B:LEU118 4.9 21.7 1.0

Reference:

S.Eswaramoorthy, S.K.Burley, S.Swaminathan. Crystal Structure of A Predicted Phosphatase From Clostridium Acetobutylicum To Be Published 2010.
Page generated: Sun Jul 21 00:06:36 2024

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