Atomistry » Chlorine » PDB 6u52-6udt » 6ubq
Atomistry »
  Chlorine »
    PDB 6u52-6udt »
      6ubq »

Chlorine in PDB 6ubq: Crystal Structure of Ketosteroid Isomerase From Pseudomonas Putida (Pksi) Bound to 4-Androstenedione at 100 K

Enzymatic activity of Crystal Structure of Ketosteroid Isomerase From Pseudomonas Putida (Pksi) Bound to 4-Androstenedione at 100 K

All present enzymatic activity of Crystal Structure of Ketosteroid Isomerase From Pseudomonas Putida (Pksi) Bound to 4-Androstenedione at 100 K:
5.3.3.1;

Protein crystallography data

The structure of Crystal Structure of Ketosteroid Isomerase From Pseudomonas Putida (Pksi) Bound to 4-Androstenedione at 100 K, PDB code: 6ubq was solved by F.Yabukarski, D.Herschlag, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.64 / 1.30
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 36.209, 74.316, 95.562, 90.00, 90.00, 90.00
R / Rfree (%) 15.2 / 17

Other elements in 6ubq:

The structure of Crystal Structure of Ketosteroid Isomerase From Pseudomonas Putida (Pksi) Bound to 4-Androstenedione at 100 K also contains other interesting chemical elements:

Magnesium (Mg) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Ketosteroid Isomerase From Pseudomonas Putida (Pksi) Bound to 4-Androstenedione at 100 K (pdb code 6ubq). 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 Ketosteroid Isomerase From Pseudomonas Putida (Pksi) Bound to 4-Androstenedione at 100 K, PDB code: 6ubq:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 6ubq

Go back to Chlorine Binding Sites List in 6ubq
Chlorine binding site 1 out of 2 in the Crystal Structure of Ketosteroid Isomerase From Pseudomonas Putida (Pksi) Bound to 4-Androstenedione at 100 K


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 Ketosteroid Isomerase From Pseudomonas Putida (Pksi) Bound to 4-Androstenedione at 100 K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:27.6
occ:0.82
 HH12 A:ARG75 2.3 20.0 1.0
HG1 B:THR71 2.4 24.1 1.0
HH22 A:ARG75 2.4 19.6 1.0
HA3 A:GLY72 2.6 22.2 1.0
O A:HOH314 2.7 40.3 1.0
O A:HOH381 2.9 26.8 1.0
OG1 B:THR71 3.0 20.1 1.0
HD2 A:PRO73 3.0 26.4 1.0
NH1 A:ARG75 3.1 16.7 1.0
NH2 A:ARG75 3.1 16.3 1.0
HB B:THR71 3.2 24.1 1.0
HB2 B:PRO85 3.3 16.9 1.0
HG3 A:PRO85 3.5 18.8 1.0
CZ A:ARG75 3.5 15.2 1.0
CB B:THR71 3.5 20.1 1.0
CA A:GLY72 3.6 18.5 1.0
O B:HOH331 3.6 35.8 1.0
HG21 B:THR71 3.7 26.0 1.0
HH11 A:ARG75 3.8 20.0 1.0
HH21 A:ARG75 3.9 19.6 1.0
HA2 A:GLY72 3.9 22.2 1.0
CD A:PRO73 3.9 22.0 1.0
HG2 A:PRO85 4.1 18.8 1.0
CG2 B:THR71 4.2 21.7 1.0
CG A:PRO85 4.2 15.6 1.0
CB B:PRO85 4.3 14.1 1.0
O A:THR71 4.3 22.1 1.0
C A:GLY72 4.3 18.4 1.0
HD3 A:PRO73 4.4 26.4 1.0
N A:PRO73 4.4 18.3 1.0
N A:GLY72 4.4 17.8 1.0
HB3 B:PRO85 4.5 16.9 1.0
HG2 A:PRO73 4.6 29.9 1.0
C A:THR71 4.7 18.0 1.0
HG23 B:THR71 4.8 26.0 1.0
HG2 B:PRO85 4.8 17.1 1.0
HG22 B:THR71 4.8 26.0 1.0
NE A:ARG75 4.9 15.3 1.0
CA B:THR71 4.9 16.4 1.0
CG A:PRO73 4.9 24.9 1.0
O B:THR71 4.9 20.7 1.0
HB3 B:ASP100 4.9 23.8 1.0
H A:GLY72 5.0 21.4 1.0
C B:THR71 5.0 17.4 1.0

Chlorine binding site 2 out of 2 in 6ubq

Go back to Chlorine Binding Sites List in 6ubq
Chlorine binding site 2 out of 2 in the Crystal Structure of Ketosteroid Isomerase From Pseudomonas Putida (Pksi) Bound to 4-Androstenedione at 100 K


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 Ketosteroid Isomerase From Pseudomonas Putida (Pksi) Bound to 4-Androstenedione at 100 K within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl202

b:28.1
occ:0.86
 HG1 A:THR71 2.3 27.4 1.0
HH12 B:ARG75 2.3 20.3 1.0
HH22 B:ARG75 2.3 19.4 1.0
HA3 B:GLY72 2.6 18.6 1.0
O B:HOH340 2.7 49.4 1.0
O A:HOH381 2.9 26.8 1.0
HD2 B:PRO73 2.9 22.0 0.5
OG1 A:THR71 2.9 22.8 1.0
NH1 B:ARG75 3.1 16.9 1.0
NH2 B:ARG75 3.1 16.2 1.0
HB A:THR71 3.2 27.3 1.0
HB2 A:PRO85 3.3 18.0 1.0
HD2 B:PRO73 3.5 19.0 0.5
HG3 B:PRO85 3.5 17.1 1.0
CZ B:ARG75 3.5 14.6 1.0
CB A:THR71 3.6 22.8 1.0
CA B:GLY72 3.6 15.5 1.0
O A:HOH326 3.7 34.6 1.0
HG21 A:THR71 3.8 31.2 1.0
HH11 B:ARG75 3.8 20.3 1.0
CD B:PRO73 3.8 18.3 0.5
HH21 B:ARG75 3.8 19.4 1.0
HA2 B:GLY72 3.9 18.6 1.0
HG2 B:PRO85 4.2 17.1 1.0
HD3 B:PRO73 4.2 22.0 0.5
CD B:PRO73 4.2 15.8 0.5
CB A:PRO85 4.2 15.0 1.0
CG2 A:THR71 4.2 26.0 1.0
CG B:PRO85 4.3 14.2 1.0
HD3 B:PRO73 4.3 19.0 0.5
C B:GLY72 4.4 15.4 1.0
O B:THR71 4.4 20.7 1.0
N B:PRO73 4.4 16.1 0.5
HB3 A:PRO85 4.4 18.0 1.0
N B:GLY72 4.4 16.2 1.0
N B:PRO73 4.5 15.2 0.5
HG2 B:PRO73 4.6 22.4 0.5
O A:HOH351 4.7 65.6 1.0
C B:THR71 4.8 17.4 1.0
HG2 A:PRO85 4.8 18.8 1.0
CG B:PRO73 4.8 18.6 0.5
HG23 A:THR71 4.8 31.2 1.0
NE B:ARG75 4.9 15.2 1.0
O A:THR71 4.9 22.1 1.0
CA A:THR71 4.9 19.3 1.0
HG22 A:THR71 4.9 31.2 1.0
HB3 A:ASP100 4.9 22.6 1.0
H B:GLY72 5.0 19.5 1.0
CG A:PRO85 5.0 15.6 1.0
C A:THR71 5.0 18.0 1.0

Reference:

F.Yabukarski, D.Herschlag. Assessing Active Site Positioning and Testing Catalytic Proposals Via Ketosteroid Isomerase Conformational Ensembles To Be Published.
Page generated: Mon Jul 29 15:48:52 2024

Last articles

Ca in 2WO4
Ca in 2WN3
Ca in 2WNX
Ca in 2WN2
Ca in 2WNV
Ca in 2WNP
Ca in 2WNO
Ca in 2WND
Ca in 2WM4
Ca in 2WLJ
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy