Magnesium 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:

Chlorine (Cl) 2 atoms

Magnesium Binding Sites:

The binding sites of Magnesium 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 Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of Ketosteroid Isomerase From Pseudomonas Putida (Pksi) Bound to 4-Androstenedione at 100 K, PDB code: 6ubq:

Magnesium binding site 1 out of 1 in 6ubq

Go back to Magnesium Binding Sites List in 6ubq
Magnesium binding site 1 out of 1 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 Magnesium with other atoms in the Mg 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
B:Mg203

b:23.2
occ:1.00
 O B:HOH432 2.0 27.3 1.0
O B:HOH332 2.1 22.9 1.0
O B:HOH310 2.1 22.3 1.0
O B:HOH416 2.1 33.7 1.0
O B:HOH354 2.2 27.1 1.0
OD1 B:ASP35 4.2 16.6 1.0
HD2 B:HIS110 4.2 37.9 1.0
OD2 B:ASP108 4.3 19.6 1.0
O B:HOH317 4.3 19.9 1.0
OE1 B:GLN114 4.3 20.0 1.0
OD2 B:ASP35 4.4 21.0 1.0
HB1 B:ALA33 4.4 16.3 1.0
O B:HOH406 4.4 56.7 1.0
OD2 B:ASP34 4.5 16.7 1.0
CG B:ASP35 4.6 17.4 1.0
HE22 B:GLN114 4.8 21.4 1.0
HB2 B:ASP108 4.8 21.1 1.0
OE1 B:GLU109 5.0 33.9 0.5
CD2 B:HIS110 5.0 31.6 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 Jan 25 15:16:16 2021

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