Magnesium in PDB 4fig: Catalytic Domain of Human PAK4

All present enzymatic activity of Catalytic Domain of Human PAK4:
2.7.11.1;

The structure of Catalytic Domain of Human PAK4, PDB code: 4fig was solved by B.H.Ha, T.J.Boggon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 3.01
Space group	P 3
Cell size a, b, c (Å), α, β, γ (°)	141.918, 141.918, 61.872, 90.00, 90.00, 120.00
R / Rfree (%)	19.6 / 22.1

The binding sites of Magnesium atom in the Catalytic Domain of Human PAK4 (pdb code 4fig). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Catalytic Domain of Human PAK4, PDB code: 4fig:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Catalytic Domain of Human PAK4


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Catalytic Domain of Human PAK4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1002 b:95.7 occ:1.00 O1A A:ANP1001 2.1 92.4 1.0 O2B A:ANP1001 2.4 94.8 0.5 PA A:ANP1001 3.3 90.2 0.5 O3A A:ANP1001 3.5 93.4 0.5 PB A:ANP1001 3.5 96.6 0.5 C5' A:ANP1001 3.6 88.8 1.0 O5' A:ANP1001 3.9 88.9 1.0 C3' A:ANP1001 4.0 92.6 1.0 CA A:GLY330 4.1 0.5 1.0 OD2 A:ASP458 4.2 0.8 1.0 O3' A:ANP1001 4.2 98.6 1.0 N3B A:ANP1001 4.3 97.1 0.5 C4' A:ANP1001 4.4 89.4 1.0 O2A A:ANP1001 4.6 89.5 1.0 O A:GLU329 4.7 0.5 1.0 O1B A:ANP1001 4.8 95.8 0.5 CG A:ASP458 4.9 0.3 1.0 N A:GLY330 5.0 0.6 1.0 CB A:ASP444 5.0 79.1 1.0

Magnesium binding site 2 out of 2 in the Catalytic Domain of Human PAK4


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Catalytic Domain of Human PAK4 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg601 b:98.9 occ:1.00 O1A B:ANP602 1.8 91.8 1.0 O2B B:ANP602 2.5 94.1 0.5 PA B:ANP602 3.2 88.5 0.5 O3A B:ANP602 3.5 92.7 0.5 PB B:ANP602 3.5 97.4 0.5 OD2 B:ASP458 3.7 0.5 1.0 CA B:GLY330 4.1 97.4 1.0 O5' B:ANP602 4.2 86.4 1.0 C5' B:ANP602 4.2 86.0 1.0 C3' B:ANP602 4.2 85.7 1.0 O2A B:ANP602 4.3 84.8 1.0 N3B B:ANP602 4.3 98.1 0.5 CG B:ASP458 4.7 0.6 1.0 C4' B:ANP602 4.8 85.2 1.0 O3' B:ANP602 4.8 91.2 1.0 O1B B:ANP602 4.9 95.3 0.5 CB B:ASP444 4.9 79.5 1.0 O B:GLU329 4.9 98.4 1.0 OD1 B:ASP458 5.0 0.8 1.0

B.H.Ha, M.J.Davis, C.Chen, H.J.Lou, J.Gao, R.Zhang, M.Krauthammer, R.Halaban, J.Schlessinger, B.E.Turk, T.J.Boggon. Type II P21-Activated Kinases (Paks) Are Regulated By An Autoinhibitory Pseudosubstrate. Proc.Natl.Acad.Sci.Usa V. 109 16107 2012.
ISSN: ISSN 0027-8424
PubMed: 22988085
DOI: 10.1073/PNAS.1214447109