Atomistry » Magnesium » PDB 7rm7-7rxx » 7rxk
Atomistry »
  Magnesium »
    PDB 7rm7-7rxx »
      7rxk »

Magnesium 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:

Chlorine (Cl) 4 atoms

Magnesium Binding Sites:

The binding sites of Magnesium 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 Magnesium atom.
In total 2 binding sites of Magnesium 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 Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 7rxk

Go back to Magnesium Binding Sites List in 7rxk
Magnesium binding site 1 out of 2 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 Magnesium with other atoms in the Mg 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:Mg201

b:14.5
occ:0.39
 OD2 A:ASP21 1.9 12.7 0.5
O A:HOH372 2.0 17.1 0.5
O A:HOH382 2.1 18.4 0.5
O A:HOH374 2.1 15.6 0.6
O A:HOH386 2.1 19.0 0.5
O A:HOH440 2.2 21.8 0.5
OD2 A:ASP21 2.4 9.3 0.2
OD2 A:ASP21 2.6 10.8 0.3
OE1 A:GLU18 3.0 23.7 0.4
CG A:ASP21 3.0 10.1 0.5
HH21 A:ARG67 3.1 17.4 0.4
HB3 A:ASP21 3.1 12.4 0.2
HB3 A:ASP21 3.2 11.9 0.5
HH21 A:ARG67 3.4 21.7 0.3
CG A:ASP21 3.4 10.4 0.2
HB3 A:ASP21 3.5 9.4 0.3
CG A:ASP21 3.6 8.8 0.3
CB A:ASP21 3.7 10.0 0.5
HH21 A:ARG67 3.7 15.8 0.3
CB A:ASP21 3.7 10.3 0.2
NH2 A:ARG67 3.8 14.5 0.4
HH22 A:ARG67 3.9 17.4 0.4
CD A:GLU18 4.0 19.2 0.4
HA A:GLU18 4.0 11.6 0.4
HA A:GLU18 4.0 12.8 0.3
HG3 A:GLU18 4.0 22.1 0.3
NH2 A:ARG67 4.1 18.1 0.3
CB A:ASP21 4.1 7.8 0.3
OD1 A:ASP21 4.1 10.5 0.5
O A:HOH399 4.1 27.7 1.0
HB2 A:ASP21 4.2 12.4 0.2
O A:HOH317 4.2 17.9 1.0
HA A:GLU18 4.2 11.3 0.3
HB2 A:ASP21 4.2 11.9 0.5
HH22 A:ARG67 4.2 21.7 0.3
O A:HOH435 4.3 28.6 1.0
NH2 A:ARG67 4.3 13.2 0.3
HH22 A:ARG67 4.4 15.8 0.3
O A:GLU18 4.5 9.8 0.3
HB3 A:GLU18 4.5 14.3 0.4
HB2 A:ASP21 4.5 9.4 0.3
OE2 A:GLU18 4.5 19.7 0.4
HG2 A:GLU18 4.6 19.8 0.3
OD1 A:ASP21 4.6 11.3 0.2
O A:GLU18 4.6 7.4 0.3
HB A:VAL22 4.6 11.6 0.1
OD1 A:ASP21 4.6 11.6 0.3
HB A:VAL22 4.6 11.4 0.5
HE A:ARG67 4.6 19.4 0.4
O A:GLU18 4.7 10.2 0.4
HB A:VAL22 4.7 11.1 0.4
C A:ASP21 4.7 9.3 0.5
HE A:ARG67 4.8 18.6 0.3
CA A:GLU18 4.8 9.7 0.4
CA A:ASP21 4.8 10.6 0.5
HB3 A:GLU18 4.9 13.7 0.3
CA A:GLU18 4.9 10.7 0.3
CZ A:ARG67 4.9 11.2 0.4
CG A:GLU18 4.9 18.4 0.3
N A:VAL22 4.9 9.0 0.5
O A:ASP21 5.0 11.5 0.5
CB A:GLU18 5.0 11.9 0.4
H A:VAL22 5.0 10.8 0.5

Magnesium binding site 2 out of 2 in 7rxk

Go back to Magnesium Binding Sites List in 7rxk
Magnesium binding site 2 out of 2 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 Magnesium with other atoms in the Mg 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:Mg202

b:16.8
occ:0.67
 O A:HOH302 2.0 19.1 0.8
O A:HOH336 2.0 18.4 0.8
O A:HOH422 2.0 28.4 0.8
O A:HOH387 2.1 29.8 0.8
O A:HOH354 2.1 25.7 0.8
HE1 A:HIS110 3.9 30.3 0.3
OD1 A:ASP35 4.0 12.2 0.4
OD1 A:ASP35 4.1 12.2 0.3
OD2 A:ASP108 4.1 15.8 0.4
OE1 A:GLN114 4.1 16.1 0.3
OD2 A:ASP35 4.2 14.4 0.3
OE1 A:GLN114 4.2 15.9 0.4
HB1 A:ALA33 4.2 12.6 0.6
OD2 A:ASP35 4.3 12.8 0.4
O A:HOH319 4.3 21.9 1.0
OD2 A:ASP108 4.3 15.5 0.5
OD1 A:ASP34 4.4 12.2 0.6
HD2 A:HIS110 4.4 26.4 0.3
OE1 A:GLN114 4.4 15.5 0.3
OD2 A:ASP108 4.4 15.8 0.1
HB1 A:ALA33 4.4 10.4 0.4
HE22 A:GLN114 4.5 15.6 0.4
CG A:ASP35 4.5 12.4 0.4
ND1 A:HIS110 4.5 27.2 0.3
OD1 A:ASP35 4.5 10.5 0.3
CG A:ASP35 4.5 11.2 0.3
CE1 A:HIS110 4.5 25.3 0.3
HB2 A:ASP108 4.7 18.6 0.4
OE2 A:GLU109 4.7 35.3 0.4
HD2 A:HIS110 4.7 26.3 0.4
HE22 A:GLN114 4.8 18.0 0.3
OD2 A:ASP34 4.8 13.6 0.4
HB2 A:ASP108 4.9 17.2 0.1
HE22 A:GLN114 4.9 18.2 0.3

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.
Page generated: Thu Apr 6 22:01:10 2023

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy