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Chlorine in PDB 4rm1: The Crystal Structure of Y333Q Mutant Pyridoxal-Dependent Decarboxylase From Sphaerobacter Thermophilus Dsm 20745

Enzymatic activity of The Crystal Structure of Y333Q Mutant Pyridoxal-Dependent Decarboxylase From Sphaerobacter Thermophilus Dsm 20745

All present enzymatic activity of The Crystal Structure of Y333Q Mutant Pyridoxal-Dependent Decarboxylase From Sphaerobacter Thermophilus Dsm 20745:
4.1.1.15;

Protein crystallography data

The structure of The Crystal Structure of Y333Q Mutant Pyridoxal-Dependent Decarboxylase From Sphaerobacter Thermophilus Dsm 20745, PDB code: 4rm1 was solved by R.Wu, S.Clancy, A.Joachimiak, Midwest Center For Structural Genomics(Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.12 / 1.99
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 69.548, 125.004, 132.242, 90.00, 99.62, 90.00
R / Rfree (%) 16.9 / 20.3

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The Crystal Structure of Y333Q Mutant Pyridoxal-Dependent Decarboxylase From Sphaerobacter Thermophilus Dsm 20745 (pdb code 4rm1). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the The Crystal Structure of Y333Q Mutant Pyridoxal-Dependent Decarboxylase From Sphaerobacter Thermophilus Dsm 20745, PDB code: 4rm1:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 4rm1

Go back to Chlorine Binding Sites List in 4rm1
Chlorine binding site 1 out of 2 in the The Crystal Structure of Y333Q Mutant Pyridoxal-Dependent Decarboxylase From Sphaerobacter Thermophilus Dsm 20745


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of Y333Q Mutant Pyridoxal-Dependent Decarboxylase From Sphaerobacter Thermophilus Dsm 20745 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl505

b:22.4
occ:1.00
O B:HOH648 3.0 13.9 1.0
O A:HOH714 3.0 18.7 1.0
O B:HOH740 3.0 21.1 1.0
O A:HOH621 3.0 15.8 1.0
CB B:HIS353 3.5 16.6 1.0
CB A:HIS353 3.6 18.7 1.0
CG B:HIS353 3.8 19.9 1.0
O A:HOH617 3.8 16.7 1.0
O B:HOH612 3.8 15.1 1.0
CG A:HIS353 3.8 16.1 1.0
OG1 B:THR311 3.9 20.3 1.0
OG1 A:THR311 3.9 19.3 1.0
ND1 B:HIS353 3.9 17.9 1.0
ND1 A:HIS353 4.1 13.0 1.0
OD1 B:ASP355 4.3 19.1 1.0
OD1 A:ASP355 4.4 15.3 1.0
CD2 B:HIS353 4.5 19.7 1.0
CD2 A:HIS353 4.5 11.7 1.0
OG B:SER149 4.5 14.1 1.0
OG A:SER149 4.6 16.2 1.0
CE1 B:HIS353 4.7 14.6 1.0
CE1 A:HIS353 4.8 18.0 1.0
OD2 B:ASP355 4.9 18.4 1.0
N A:THR311 5.0 15.0 1.0
NE2 B:HIS353 5.0 16.6 1.0
CA B:HIS353 5.0 12.7 1.0

Chlorine binding site 2 out of 2 in 4rm1

Go back to Chlorine Binding Sites List in 4rm1
Chlorine binding site 2 out of 2 in the The Crystal Structure of Y333Q Mutant Pyridoxal-Dependent Decarboxylase From Sphaerobacter Thermophilus Dsm 20745


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Crystal Structure of Y333Q Mutant Pyridoxal-Dependent Decarboxylase From Sphaerobacter Thermophilus Dsm 20745 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl501

b:26.1
occ:1.00
O D:HOH654 2.8 20.8 1.0
O C:HOH2140 3.0 19.8 1.0
O D:HOH668 3.1 17.6 1.0
O C:HOH2156 3.2 18.0 1.0
CB D:HIS353 3.6 22.6 1.0
CB C:HIS353 3.7 16.5 1.0
CG C:HIS353 3.9 24.6 1.0
CG D:HIS353 3.9 19.1 1.0
OG1 D:THR311 3.9 25.3 1.0
O C:HOH2115 3.9 19.9 1.0
ND1 C:HIS353 3.9 19.2 1.0
O D:HOH615 4.0 17.9 1.0
OG1 C:THR311 4.0 23.6 1.0
ND1 D:HIS353 4.0 22.8 1.0
OD1 D:ASP355 4.3 18.1 1.0
OD1 C:ASP355 4.5 24.3 1.0
OG C:SER149 4.5 21.1 1.0
OG D:SER149 4.5 22.0 1.0
CD2 D:HIS353 4.6 22.2 1.0
CD2 C:HIS353 4.6 25.4 1.0
CE1 C:HIS353 4.7 16.7 1.0
CE1 D:HIS353 4.8 18.9 1.0
N D:THR311 5.0 16.8 1.0

Reference:

R.Wu, S.Clancy, A.Joachimiak, Midwest Center For Structural Genomics (Mcsg). The Crystal Structure of Y333Q Mutant Pyridoxal-Dependent Decarboxylase From Sphaerobacter Thermophilus Dsm 20745 To Be Published.
Page generated: Sat Dec 12 11:11:44 2020

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