Chlorine in PDB 8sze: Crystal Structure of Yersinia Pestis Dihydrofolate Reductase in Complex with Trimethoprim

Enzymatic activity of Crystal Structure of Yersinia Pestis Dihydrofolate Reductase in Complex with Trimethoprim

All present enzymatic activity of Crystal Structure of Yersinia Pestis Dihydrofolate Reductase in Complex with Trimethoprim:
1.5.1.3;

Protein crystallography data

The structure of Crystal Structure of Yersinia Pestis Dihydrofolate Reductase in Complex with Trimethoprim, PDB code: 8sze was solved by G.X.Shaw, S.Cherry, J.E.Tropea, D.S.Waugh, X.Ji, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.87 / 2.50
Space group P 63 2 2
Cell size a, b, c (Å), α, β, γ (°) 115.421, 115.421, 146.325, 90, 90, 120
R / Rfree (%) 21.5 / 23.8

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Yersinia Pestis Dihydrofolate Reductase in Complex with Trimethoprim (pdb code 8sze). 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 Yersinia Pestis Dihydrofolate Reductase in Complex with Trimethoprim, PDB code: 8sze:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 8sze

Go back to Chlorine Binding Sites List in 8sze
Chlorine binding site 1 out of 4 in the Crystal Structure of Yersinia Pestis Dihydrofolate Reductase in Complex with Trimethoprim


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 Yersinia Pestis Dihydrofolate Reductase in Complex with Trimethoprim within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl206

b:72.5
occ:1.00
 O A:HOH338 3.1 52.4 1.0
N A:ILE79 3.7 53.1 1.0
CB A:SER78 3.7 46.2 1.0
CA A:SER78 4.0 51.9 1.0
CG2 A:ILE79 4.0 64.2 1.0
CG1 A:ILE79 4.2 67.7 1.0
C A:SER78 4.4 49.8 1.0
CB A:ILE79 4.5 56.5 1.0
CA A:ILE79 4.7 54.9 1.0
O1 A:EDO205 4.8 57.8 1.0
OG A:SER78 4.9 48.4 1.0

Chlorine binding site 2 out of 4 in 8sze

Go back to Chlorine Binding Sites List in 8sze
Chlorine binding site 2 out of 4 in the Crystal Structure of Yersinia Pestis Dihydrofolate Reductase in Complex with Trimethoprim


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 Yersinia Pestis Dihydrofolate Reductase in Complex with Trimethoprim within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl207

b:70.5
occ:1.00
 N A:GLY57 3.1 40.1 1.0
CA A:PRO56 3.8 39.9 1.0
C A:PRO56 3.9 37.9 1.0
CA A:GLY57 4.0 39.5 1.0
CB A:PRO56 4.1 42.1 1.0
C A:GLY57 4.9 36.4 1.0
N A:ARG58 5.0 36.2 1.0

Chlorine binding site 3 out of 4 in 8sze

Go back to Chlorine Binding Sites List in 8sze
Chlorine binding site 3 out of 4 in the Crystal Structure of Yersinia Pestis Dihydrofolate Reductase in Complex with Trimethoprim


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 Yersinia Pestis Dihydrofolate Reductase in Complex with Trimethoprim within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl208

b:87.9
occ:1.00
 N A:ASP128 3.9 70.2 1.0
CA A:PRO127 4.1 60.1 1.0
CE A:LYS102 4.3 89.6 1.0
C A:PRO127 4.6 65.8 1.0
CB A:PRO127 4.6 56.5 1.0
CB A:ASP128 4.7 80.8 1.0
CA A:ASP128 4.9 75.5 1.0

Chlorine binding site 4 out of 4 in 8sze

Go back to Chlorine Binding Sites List in 8sze
Chlorine binding site 4 out of 4 in the Crystal Structure of Yersinia Pestis Dihydrofolate Reductase in Complex with Trimethoprim


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 Yersinia Pestis Dihydrofolate Reductase in Complex with Trimethoprim within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl206

b:67.6
occ:1.00
 N B:ALA8 3.5 43.6 1.0
O B:ALA8 3.7 51.8 1.0
OH B:TYR101 3.8 36.7 1.0
C6 B:TOP201 4.1 41.5 1.0
CA B:ALA7 4.2 34.2 1.0
N7 B:TOP201 4.2 41.1 1.0
C8 B:TOP201 4.2 40.5 1.0
CA B:ALA8 4.3 41.0 1.0
C B:ALA7 4.4 40.4 1.0
CB B:ALA8 4.4 40.4 1.0
CB B:ALA7 4.4 35.8 1.0
N5 B:TOP201 4.4 37.9 1.0
C B:ALA8 4.5 45.6 1.0
C9 B:TOP201 4.6 46.1 1.0
CE2 B:TYR101 4.7 38.8 1.0
CZ B:TYR101 4.7 37.8 1.0
C1 B:TOP201 4.7 35.4 1.0
CB B:ILE15 4.8 63.9 1.0
CG2 B:ILE15 4.8 61.6 1.0
O B:MET95 4.8 43.6 1.0
C3 B:TOP201 4.9 39.2 1.0

Reference:

G.X.Shaw, S.Cherry, J.E.Tropea, D.S.Waugh, X.Ji. Crystal Structure of Yersinia Pestis Dihydrofolate Reductase in Complex with Trimethoprim To Be Published.
Page generated: Tue Jul 30 12:41:39 2024

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