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Chlorine in PDB 7rxk: Multi-Conformer Model of Apo Ketosteroid Isomerase Y32F/Y57F Mutant From Pseudomonas Putida (Pksi) at 250 K

Enzymatic activity of Multi-Conformer Model of Apo Ketosteroid Isomerase Y32F/Y57F Mutant From Pseudomonas Putida (Pksi) at 250 K

All present enzymatic activity of Multi-Conformer Model of Apo Ketosteroid Isomerase Y32F/Y57F Mutant From Pseudomonas Putida (Pksi) at 250 K:
5.3.3.1;

Protein crystallography data

The structure of Multi-Conformer Model of Apo Ketosteroid Isomerase Y32F/Y57F Mutant From Pseudomonas Putida (Pksi) at 250 K, PDB code: 7rxk was solved by F.Yabukarski, T.Doukov, D.Herschlag, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.56 / 1.10
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 36.266, 74.059, 96.229, 90, 90, 90
R / Rfree (%) 15.3 / 16.6

Other elements in 7rxk:

The structure of Multi-Conformer Model of Apo Ketosteroid Isomerase Y32F/Y57F Mutant From Pseudomonas Putida (Pksi) at 250 K also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Multi-Conformer Model of Apo Ketosteroid Isomerase Y32F/Y57F Mutant From Pseudomonas Putida (Pksi) at 250 K (pdb code 7rxk). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Multi-Conformer Model of Apo Ketosteroid Isomerase Y32F/Y57F Mutant From Pseudomonas Putida (Pksi) at 250 K, PDB code: 7rxk:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 7rxk

Go back to Chlorine Binding Sites List in 7rxk
Chlorine binding site 1 out of 4 in the Multi-Conformer Model of Apo Ketosteroid Isomerase Y32F/Y57F Mutant From Pseudomonas Putida (Pksi) at 250 K


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Multi-Conformer Model of Apo Ketosteroid Isomerase Y32F/Y57F Mutant From Pseudomonas Putida (Pksi) at 250 K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:14.0
occ:0.24
CL A:CL203 0.0 14.0 0.2
CL A:CL203 0.7 21.9 0.8
O A:HOH393 2.2 22.6 0.5
HG1 B:THR71 2.3 15.3 0.1
HG1 B:THR71 2.4 15.6 0.3
HH12 A:ARG75 2.4 14.3 0.5
HH22 A:ARG75 2.4 13.6 0.5
HH12 A:ARG75 2.5 12.7 0.5
HH22 A:ARG75 2.5 12.8 0.5
HD2 A:PRO73 2.6 13.1 0.3
O B:HOH357 2.6 19.8 0.5
HD2 A:PRO73 2.6 15.2 0.3
HA3 A:GLY72 2.7 12.9 0.3
HG1 B:THR71 2.7 18.2 0.6
HA3 A:GLY72 2.7 13.8 0.3
OG1 B:THR71 2.9 12.7 0.1
HA3 A:GLY72 3.0 12.6 0.4
O B:HOH357 3.1 33.0 0.5
NH1 A:ARG75 3.2 11.9 0.5
O A:HOH393 3.2 30.5 0.5
NH2 A:ARG75 3.2 11.4 0.5
OG1 B:THR71 3.2 15.2 0.6
NH2 A:ARG75 3.2 10.6 0.5
OG1 B:THR71 3.2 13.0 0.3
O B:HOH341 3.2 24.2 1.0
NH1 A:ARG75 3.2 10.6 0.5
HD2 A:PRO73 3.3 12.8 0.4
HB2 B:PRO85 3.3 13.4 0.4
HB B:THR71 3.4 18.8 0.1
HB B:THR71 3.4 18.5 0.6
HB2 B:PRO85 3.5 13.3 0.6
CD A:PRO73 3.5 10.9 0.3
CA A:GLY72 3.6 11.5 0.3
HB B:THR71 3.6 18.5 0.3
HA2 A:GLY72 3.6 13.8 0.3
CD A:PRO73 3.6 12.6 0.3
CZ A:ARG75 3.6 11.4 0.5
CA A:GLY72 3.6 10.8 0.3
CZ A:ARG75 3.7 8.8 0.5
CB B:THR71 3.7 15.7 0.1
HA2 A:GLY72 3.7 12.9 0.3
HG21 B:THR71 3.7 20.9 0.3
HD3 A:PRO73 3.8 13.1 0.3
HG3 A:PRO85 3.8 13.5 0.7
CB B:THR71 3.8 15.4 0.6
HH11 A:ARG75 3.9 14.3 0.5
CB B:THR71 3.9 15.4 0.3
HH21 A:ARG75 3.9 13.6 0.5
HH21 A:ARG75 3.9 12.8 0.5
CA A:GLY72 3.9 10.5 0.4
HG3 A:PRO85 3.9 10.8 0.3
HH11 A:ARG75 3.9 12.7 0.5
HD3 A:PRO73 4.0 15.2 0.3
HG21 B:THR71 4.0 20.1 0.1
CD A:PRO73 4.0 10.7 0.4
HD3 A:PRO73 4.0 12.8 0.4
CB B:PRO85 4.2 11.2 0.4
HA2 A:GLY72 4.2 12.6 0.4
HG2 A:PRO73 4.2 16.5 0.3
N A:PRO73 4.2 9.6 0.3
CG2 B:THR71 4.3 17.4 0.3
C A:GLY72 4.3 10.0 0.3
CB B:PRO85 4.4 11.1 0.6
HG2 A:PRO73 4.4 12.4 0.3
N A:PRO73 4.4 11.7 0.3
HG2 A:PRO85 4.4 13.5 0.7
HB3 B:PRO85 4.4 13.4 0.4
O A:THR71 4.4 12.0 0.4
HG21 B:THR71 4.4 19.3 0.6
CG A:PRO73 4.4 13.8 0.3
CG2 B:THR71 4.4 16.8 0.1
O A:THR71 4.4 12.2 0.4
O B:THR71 4.5 12.9 0.1
HB3 B:PRO85 4.5 13.3 0.6
C A:GLY72 4.5 11.2 0.3
HG2 A:PRO85 4.5 10.8 0.3
N A:PRO73 4.5 11.9 0.4
CG A:PRO85 4.5 11.2 0.7
O B:THR71 4.5 16.1 0.6
N A:GLY72 4.6 11.8 0.3
CG A:PRO73 4.6 10.3 0.3
HB3 B:ASP100 4.6 16.6 0.6
C A:GLY72 4.6 10.1 0.4
HG2 B:PRO85 4.6 14.8 0.4
CG A:PRO85 4.7 9.0 0.3
N A:GLY72 4.7 10.4 0.3
HG3 A:PRO73 4.7 16.5 0.3
CG2 B:THR71 4.7 16.1 0.6
O A:THR71 4.8 11.8 0.2
N A:GLY72 4.8 10.5 0.4
HB3 B:ASP100 4.8 15.9 0.4
HG23 B:THR71 4.8 20.9 0.3
CG B:PRO85 4.9 12.3 0.4
NE A:ARG75 4.9 11.7 0.5
HG23 B:THR71 4.9 20.1 0.1
C A:THR71 4.9 10.2 0.4
CA B:THR71 4.9 13.2 0.1
OD1 B:ASP100 4.9 16.5 0.4
C B:THR71 4.9 12.7 0.6
HG3 A:PRO73 4.9 12.4 0.3
O B:HOH367 5.0 42.4 1.0
NE A:ARG75 5.0 8.7 0.5
C B:THR71 5.0 13.2 0.1
C A:THR71 5.0 12.2 0.4
CA B:THR71 5.0 13.2 0.6

Chlorine binding site 2 out of 4 in 7rxk

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Chlorine binding site 2 out of 4 in the Multi-Conformer Model of Apo Ketosteroid Isomerase Y32F/Y57F Mutant From Pseudomonas Putida (Pksi) at 250 K


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Multi-Conformer Model of Apo Ketosteroid Isomerase Y32F/Y57F Mutant From Pseudomonas Putida (Pksi) at 250 K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:21.9
occ:0.76
CL A:CL203 0.0 21.9 0.8
CL A:CL203 0.7 14.0 0.2
HH12 A:ARG75 2.2 14.3 0.5
HH12 A:ARG75 2.3 12.7 0.5
HG1 B:THR71 2.4 15.6 0.3
HH22 A:ARG75 2.5 12.8 0.5
HA3 A:GLY72 2.5 13.8 0.3
HG1 B:THR71 2.5 15.3 0.1
HH22 A:ARG75 2.6 13.6 0.5
HA3 A:GLY72 2.6 12.9 0.3
O B:HOH341 2.7 24.2 1.0
HB2 B:PRO85 2.8 13.4 0.4
HD2 A:PRO73 2.9 13.1 0.3
O A:HOH393 2.9 22.6 0.5
HA3 A:GLY72 2.9 12.6 0.4
OG1 B:THR71 2.9 12.7 0.1
HG1 B:THR71 3.0 18.2 0.6
HB2 B:PRO85 3.0 13.3 0.6
HD2 A:PRO73 3.0 15.2 0.3
NH1 A:ARG75 3.0 11.9 0.5
OG1 B:THR71 3.1 13.0 0.3
NH1 A:ARG75 3.2 10.6 0.5
HG3 A:PRO85 3.2 13.5 0.7
O B:HOH357 3.2 19.8 0.5
NH2 A:ARG75 3.2 10.6 0.5
HG3 A:PRO85 3.3 10.8 0.3
OG1 B:THR71 3.3 15.2 0.6
NH2 A:ARG75 3.3 11.4 0.5
O A:HOH393 3.3 30.5 0.5
CA A:GLY72 3.4 11.5 0.3
CA A:GLY72 3.5 10.8 0.3
CZ A:ARG75 3.5 11.4 0.5
HB B:THR71 3.6 18.8 0.1
HB B:THR71 3.6 18.5 0.6
HA2 A:GLY72 3.6 13.8 0.3
HD2 A:PRO73 3.7 12.8 0.4
CB B:PRO85 3.7 11.2 0.4
HH11 A:ARG75 3.7 14.3 0.5
CZ A:ARG75 3.7 8.8 0.5
HB B:THR71 3.7 18.5 0.3
O B:HOH357 3.8 33.0 0.5
HA2 A:GLY72 3.8 12.9 0.3
HB3 B:PRO85 3.8 13.4 0.4
CB B:THR71 3.8 15.7 0.1
HG2 A:PRO85 3.8 13.5 0.7
CD A:PRO73 3.8 10.9 0.3
CB B:PRO85 3.8 11.1 0.6
HH11 A:ARG75 3.8 12.7 0.5
HB3 B:PRO85 3.9 13.3 0.6
CA A:GLY72 3.9 10.5 0.4
HG2 A:PRO85 3.9 10.8 0.3
CD A:PRO73 3.9 12.6 0.3
CG A:PRO85 3.9 11.2 0.7
CB B:THR71 4.0 15.4 0.3
HH21 A:ARG75 4.0 12.8 0.5
CG A:PRO85 4.0 9.0 0.3
CB B:THR71 4.0 15.4 0.6
HH21 A:ARG75 4.1 13.6 0.5
O A:THR71 4.1 12.0 0.4
HG2 B:PRO85 4.1 14.8 0.4
HG21 B:THR71 4.2 20.9 0.3
HD3 A:PRO73 4.2 13.1 0.3
O B:THR71 4.2 12.9 0.1
C A:GLY72 4.2 10.0 0.3
O A:THR71 4.2 12.2 0.4
N A:GLY72 4.3 11.8 0.3
HA2 A:GLY72 4.3 12.6 0.4
CG B:PRO85 4.3 12.3 0.4
N A:PRO73 4.3 9.6 0.3
HD3 A:PRO73 4.3 15.2 0.3
CD A:PRO73 4.3 10.7 0.4
HG3 B:PRO85 4.4 14.8 0.4
O B:THR71 4.4 16.1 0.6
N A:GLY72 4.4 10.4 0.3
C A:GLY72 4.4 11.2 0.3
HD3 A:PRO73 4.4 12.8 0.4
HG21 B:THR71 4.5 20.1 0.1
N A:PRO73 4.5 11.7 0.3
HG2 A:PRO73 4.5 16.5 0.3
N A:GLY72 4.6 10.5 0.4
C A:GLY72 4.6 10.1 0.4
N A:PRO73 4.6 11.9 0.4
HG2 B:PRO85 4.6 14.8 0.6
CG2 B:THR71 4.6 17.4 0.3
O A:THR71 4.6 11.8 0.2
C A:THR71 4.6 10.2 0.4
C A:THR71 4.6 12.2 0.4
CG B:PRO85 4.7 12.3 0.6
HG2 A:PRO73 4.7 12.4 0.3
HG3 B:PRO85 4.7 14.8 0.6
CG A:PRO73 4.7 13.8 0.3
CG2 B:THR71 4.7 16.8 0.1
HB2 A:PRO85 4.8 10.6 0.7
CB A:PRO85 4.8 8.8 0.7
C B:THR71 4.8 13.2 0.1
C B:THR71 4.8 12.7 0.6
HB3 A:PRO85 4.8 10.6 0.7
H A:GLY72 4.8 14.2 0.4
C A:THR71 4.8 11.3 0.2
HG21 B:THR71 4.9 19.3 0.6
NE A:ARG75 4.9 11.7 0.5
CA B:PRO85 4.9 10.5 0.4
HD3 A:PRO85 4.9 10.1 0.3
CG A:PRO73 4.9 10.3 0.3
CA B:THR71 4.9 13.2 0.1
CA B:PRO85 4.9 9.7 0.6
CD A:PRO85 5.0 8.4 0.3
HB3 B:ASP100 5.0 16.6 0.6

Chlorine binding site 3 out of 4 in 7rxk

Go back to Chlorine Binding Sites List in 7rxk
Chlorine binding site 3 out of 4 in the Multi-Conformer Model of Apo Ketosteroid Isomerase Y32F/Y57F Mutant From Pseudomonas Putida (Pksi) at 250 K


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Multi-Conformer Model of Apo Ketosteroid Isomerase Y32F/Y57F Mutant From Pseudomonas Putida (Pksi) at 250 K within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl201

b:15.0
occ:0.28
CL B:CL201 0.0 15.0 0.3
CL B:CL201 0.8 19.5 0.7
O B:HOH361 2.1 24.3 0.4
HG1 A:THR71 2.3 13.5 0.2
HH22 B:ARG75 2.4 15.0 0.8
O A:HOH318 2.4 21.8 0.5
HG1 A:THR71 2.4 15.6 0.4
HH12 B:ARG75 2.4 13.7 0.8
HD2 B:PRO73 2.7 18.0 0.6
HH22 B:ARG75 2.7 15.3 0.2
HD2 B:PRO73 2.8 17.9 0.2
HG1 A:THR71 2.8 15.6 0.4
HD2 B:PRO73 2.8 17.3 0.2
HA3 B:GLY72 2.8 16.0 0.6
HA3 B:GLY72 2.9 14.3 0.4
O A:HOH318 2.9 26.1 0.5
HH12 B:ARG75 3.0 18.8 0.2
OG1 A:THR71 3.1 11.3 0.2
OG1 A:THR71 3.1 13.0 0.4
NH2 B:ARG75 3.2 12.5 0.8
NH1 B:ARG75 3.2 11.4 0.8
OG1 A:THR71 3.2 13.0 0.4
HB A:THR71 3.3 16.7 0.2
HB A:THR71 3.3 14.5 0.4
O B:HOH341 3.3 24.2 1.0
HG21 A:THR71 3.3 11.2 0.2
O B:HOH361 3.3 29.6 0.6
NH2 B:ARG75 3.4 12.8 0.2
HB2 A:PRO85 3.4 14.1 0.3
HB A:THR71 3.5 13.2 0.4
CB A:THR71 3.5 13.9 0.2
HB2 A:PRO85 3.6 10.6 0.7
CZ B:ARG75 3.6 10.8 0.8
CD B:PRO73 3.6 14.9 0.2
NH1 B:ARG75 3.6 15.7 0.2
CD B:PRO73 3.6 15.0 0.6
HD3 B:PRO73 3.7 17.9 0.2
CA B:GLY72 3.7 13.3 0.6
CB A:THR71 3.7 12.1 0.4
HA2 B:GLY72 3.8 16.0 0.6
CD B:PRO73 3.8 14.4 0.2
CA B:GLY72 3.8 11.9 0.4
CG2 A:THR71 3.8 9.3 0.2
HG3 B:PRO85 3.8 14.8 0.6
HH21 B:ARG75 3.8 15.0 0.8
CB A:THR71 3.8 11.0 0.4
HH11 B:ARG75 3.9 13.7 0.8
CZ B:ARG75 3.9 9.6 0.2
HH21 B:ARG75 3.9 15.3 0.2
HG23 A:THR71 3.9 11.2 0.2
HG3 B:PRO85 4.0 14.8 0.4
HG21 A:THR71 4.0 16.9 0.4
HA2 B:GLY72 4.0 14.3 0.4
HD3 B:PRO73 4.0 18.0 0.6
O B:THR71 4.1 12.9 0.1
HD3 B:PRO73 4.1 17.3 0.2
N B:PRO73 4.3 13.9 0.2
O A:THR71 4.3 12.0 0.4
HG21 A:THR71 4.3 15.9 0.4
HH11 B:ARG75 4.3 18.8 0.2
N B:PRO73 4.3 12.7 0.6
HG2 B:PRO73 4.3 18.8 0.6
CB A:PRO85 4.4 11.7 0.3
C B:GLY72 4.4 11.6 0.6
HG2 B:PRO85 4.5 14.8 0.6
HG2 B:PRO73 4.5 19.2 0.2
CG2 A:THR71 4.5 14.1 0.4
N B:PRO73 4.5 10.6 0.2
HG2 B:PRO85 4.5 14.8 0.4
O B:THR71 4.5 16.1 0.6
CB A:PRO85 4.5 8.8 0.7
HB3 A:ASP100 4.5 17.5 0.6
CG B:PRO73 4.5 15.7 0.6
HB3 A:PRO85 4.6 14.1 0.3
C B:GLY72 4.6 12.5 0.4
O B:THR71 4.6 13.3 0.3
CG B:PRO85 4.6 12.3 0.6
CG2 A:THR71 4.6 13.3 0.4
HB3 A:PRO85 4.6 10.6 0.7
OD1 A:ASP100 4.7 14.4 0.6
N B:GLY72 4.7 13.7 0.4
CG B:PRO73 4.7 16.0 0.2
CG B:PRO85 4.7 12.3 0.4
HG22 A:THR71 4.7 11.2 0.2
N B:GLY72 4.7 11.8 0.6
C A:THR71 4.8 12.2 0.4
C B:THR71 4.8 13.2 0.1
HG2 B:PRO73 4.8 20.2 0.2
HB3 A:ASP100 4.8 13.1 0.4
HG2 A:PRO85 4.8 10.8 0.3
CG B:PRO73 4.8 16.8 0.2
CA A:THR71 4.8 10.1 0.4
HG3 B:PRO73 4.9 18.8 0.6
NE B:ARG75 4.9 11.1 0.8
C B:THR71 5.0 12.1 0.3

Chlorine binding site 4 out of 4 in 7rxk

Go back to Chlorine Binding Sites List in 7rxk
Chlorine binding site 4 out of 4 in the Multi-Conformer Model of Apo Ketosteroid Isomerase Y32F/Y57F Mutant From Pseudomonas Putida (Pksi) at 250 K


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Multi-Conformer Model of Apo Ketosteroid Isomerase Y32F/Y57F Mutant From Pseudomonas Putida (Pksi) at 250 K within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl201

b:19.5
occ:0.72
CL B:CL201 0.0 19.5 0.7
CL B:CL201 0.8 15.0 0.3
HG1 A:THR71 2.1 13.5 0.2
HH12 B:ARG75 2.3 13.7 0.8
HH22 B:ARG75 2.4 15.0 0.8
HG1 A:THR71 2.5 15.6 0.4
HA3 B:GLY72 2.6 16.0 0.6
O B:HOH341 2.7 24.2 1.0
HH22 B:ARG75 2.7 15.3 0.2
HG1 A:THR71 2.7 15.6 0.4
HH12 B:ARG75 2.7 18.8 0.2
O B:HOH361 2.8 24.3 0.4
HA3 B:GLY72 2.8 14.3 0.4
OG1 A:THR71 2.9 11.3 0.2
HB2 A:PRO85 2.9 14.1 0.3
O A:HOH318 3.0 21.8 0.5
NH1 B:ARG75 3.1 11.4 0.8
HD2 B:PRO73 3.1 18.0 0.6
HB2 A:PRO85 3.1 10.6 0.7
OG1 A:THR71 3.2 13.0 0.4
HG3 B:PRO85 3.2 14.8 0.6
OG1 A:THR71 3.2 13.0 0.4
NH2 B:ARG75 3.2 12.5 0.8
HD2 B:PRO73 3.2 17.9 0.2
HD2 B:PRO73 3.2 17.3 0.2
HG3 B:PRO85 3.3 14.8 0.4
HB A:THR71 3.3 16.7 0.2
NH2 B:ARG75 3.4 12.8 0.2
NH1 B:ARG75 3.5 15.7 0.2
HB A:THR71 3.5 14.5 0.4
CA B:GLY72 3.6 13.3 0.6
CZ B:ARG75 3.6 10.8 0.8
O B:HOH361 3.6 29.6 0.6
CB A:THR71 3.6 13.9 0.2
HB A:THR71 3.6 13.2 0.4
O A:HOH318 3.7 26.1 0.5
HH11 B:ARG75 3.7 13.7 0.8
CA B:GLY72 3.8 11.9 0.4
O B:THR71 3.8 12.9 0.1
CB A:PRO85 3.8 11.7 0.3
HG21 A:THR71 3.8 11.2 0.2
HA2 B:GLY72 3.8 16.0 0.6
HG2 B:PRO85 3.9 14.8 0.6
HG2 B:PRO85 3.9 14.8 0.4
CZ B:ARG75 3.9 9.6 0.2
CB A:THR71 3.9 12.1 0.4
HH21 B:ARG75 3.9 15.0 0.8
CB A:PRO85 3.9 8.8 0.7
CG B:PRO85 3.9 12.3 0.6
CB A:THR71 4.0 11.0 0.4
HB3 A:PRO85 4.0 14.1 0.3
CD B:PRO73 4.0 14.9 0.2
CD B:PRO73 4.0 15.0 0.6
CG B:PRO85 4.0 12.3 0.4
HB3 A:PRO85 4.0 10.6 0.7
HD3 B:PRO73 4.0 17.9 0.2
O A:THR71 4.1 12.0 0.4
HH21 B:ARG75 4.1 15.3 0.2
CG2 A:THR71 4.1 9.3 0.2
HH11 B:ARG75 4.1 18.8 0.2
HA2 B:GLY72 4.2 14.3 0.4
CD B:PRO73 4.2 14.4 0.2
O B:THR71 4.2 16.1 0.6
HG23 A:THR71 4.2 11.2 0.2
HG2 A:PRO85 4.3 10.8 0.3
C B:GLY72 4.4 11.6 0.6
N B:PRO73 4.4 13.9 0.2
N B:PRO73 4.4 12.7 0.6
HG21 A:THR71 4.4 16.9 0.4
HG3 A:PRO85 4.4 10.8 0.3
N B:GLY72 4.4 13.7 0.4
CG A:PRO85 4.4 9.0 0.3
O B:THR71 4.4 13.3 0.3
HD3 B:PRO73 4.4 18.0 0.6
N B:GLY72 4.5 11.8 0.6
C B:THR71 4.5 13.2 0.1
C B:GLY72 4.5 12.5 0.4
C A:THR71 4.6 12.2 0.4
HD3 B:PRO73 4.6 17.3 0.2
HG2 A:PRO85 4.7 13.5 0.7
N B:PRO73 4.7 10.6 0.2
HG2 B:PRO73 4.7 18.8 0.6
C B:THR71 4.7 12.1 0.3
C B:THR71 4.7 12.7 0.6
CB B:PRO85 4.8 11.1 0.6
CG A:PRO85 4.8 11.2 0.7
HB2 B:PRO85 4.8 13.3 0.6
CG2 A:THR71 4.8 14.1 0.4
O A:THR71 4.8 12.2 0.4
HB3 B:PRO85 4.8 13.3 0.6
HG21 A:THR71 4.8 15.9 0.4
HG2 B:PRO73 4.8 19.2 0.2
CA A:THR71 4.9 10.1 0.4
HG3 A:PRO85 4.9 13.5 0.7
NE B:ARG75 4.9 11.1 0.8
H B:GLY72 4.9 16.4 0.3
HD3 B:PRO85 4.9 11.9 0.4
CG B:PRO73 4.9 15.7 0.6
HB3 A:ASP100 5.0 17.5 0.6
CA A:PRO85 5.0 9.8 0.3
C A:THR71 5.0 10.2 0.4
CA A:THR71 5.0 12.1 0.2
CG2 A:THR71 5.0 13.3 0.4

Reference:

F.Yabukarski, T.Doukov, M.Pinney, J.Biel, J.Fraser, D.Herschlag. Ensemble-Function Relationships to Evaluate Catalysis in the Ketosteroid Isomerase Oxyanion Hole To Be Published.
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