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Magnesium in PDB 2wzd: The Catalytically Active Fully Closed Conformation of Human Phosphoglycerate Kinase K219A Mutant in Complex with Adp, 3PG and Aluminium Trifluoride

Enzymatic activity of The Catalytically Active Fully Closed Conformation of Human Phosphoglycerate Kinase K219A Mutant in Complex with Adp, 3PG and Aluminium Trifluoride

All present enzymatic activity of The Catalytically Active Fully Closed Conformation of Human Phosphoglycerate Kinase K219A Mutant in Complex with Adp, 3PG and Aluminium Trifluoride:
2.7.2.3;

Protein crystallography data

The structure of The Catalytically Active Fully Closed Conformation of Human Phosphoglycerate Kinase K219A Mutant in Complex with Adp, 3PG and Aluminium Trifluoride, PDB code: 2wzd was solved by M.W.Bowler, M.J.Cliff, J.P.M.Marston, N.J.Baxter, A.M.H.Hownslow, A.V.Varga, J.Szabo, M.Vas, G.M.Blackburn, J.P.Waltho, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.56
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 39.380, 91.590, 108.480, 90.00, 90.00, 90.00
R / Rfree (%) 16.634 / 20.181

Other elements in 2wzd:

The structure of The Catalytically Active Fully Closed Conformation of Human Phosphoglycerate Kinase K219A Mutant in Complex with Adp, 3PG and Aluminium Trifluoride also contains other interesting chemical elements:

Fluorine (F) 3 atoms
Aluminium (Al) 1 atom
Chlorine (Cl) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the The Catalytically Active Fully Closed Conformation of Human Phosphoglycerate Kinase K219A Mutant in Complex with Adp, 3PG and Aluminium Trifluoride (pdb code 2wzd). 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 The Catalytically Active Fully Closed Conformation of Human Phosphoglycerate Kinase K219A Mutant in Complex with Adp, 3PG and Aluminium Trifluoride, PDB code: 2wzd:

Magnesium binding site 1 out of 1 in 2wzd

Go back to Magnesium Binding Sites List in 2wzd
Magnesium binding site 1 out of 1 in the The Catalytically Active Fully Closed Conformation of Human Phosphoglycerate Kinase K219A Mutant in Complex with Adp, 3PG and Aluminium Trifluoride


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The Catalytically Active Fully Closed Conformation of Human Phosphoglycerate Kinase K219A Mutant in Complex with Adp, 3PG and Aluminium Trifluoride within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1417

b:7.1
occ:1.00
 O1B A:ADP1420 2.0 6.7 1.0
F1 A:AF31419 2.0 6.3 1.0
OD2 A:ASP374 2.0 3.5 1.0
O1A A:ADP1420 2.1 5.1 1.0
O A:HOH2462 2.1 2.6 1.0
O A:HOH2454 2.1 4.8 1.0
PB A:ADP1420 3.1 6.6 1.0
CG A:ASP374 3.2 6.0 1.0
PA A:ADP1420 3.3 6.6 1.0
O3A A:ADP1420 3.5 5.7 1.0
O3B A:ADP1420 3.6 5.4 1.0
AL A:AF31419 3.6 6.8 1.0
F2 A:AF31419 3.6 7.1 1.0
O A:HOH2458 3.9 8.7 1.0
CB A:ASP374 3.9 3.5 1.0
NZ A:LYS215 3.9 4.9 1.0
N A:ASP374 4.1 4.3 1.0
O1 A:3PG1421 4.1 7.6 1.0
OD1 A:ASP374 4.2 4.1 1.0
O A:HOH2456 4.2 14.2 1.0
C5' A:ADP1420 4.3 8.1 1.0
O A:HOH2190 4.3 14.2 1.0
O5' A:ADP1420 4.3 7.7 1.0
CE A:LYS215 4.3 4.9 1.0
O A:HOH2039 4.4 4.6 1.0
O2A A:ADP1420 4.4 7.8 1.0
O2B A:ADP1420 4.4 7.6 1.0
O A:HOH3000 4.5 3.5 1.0
O A:HOH2421 4.5 6.8 1.0
O2 A:3PG1421 4.6 7.4 1.0
CA A:ASP374 4.6 4.2 1.0
N A:GLY373 4.7 3.5 1.0
CD A:LYS215 4.7 3.2 1.0
C1 A:3PG1421 4.8 5.1 1.0
CA A:GLY373 4.9 4.4 1.0
C A:GLY373 4.9 3.6 1.0

Reference:

M.J.Cliff, M.W.Bowler, J.Szabo, J.P.M.Marston, A.V.Varga, A.M.H.Hownslow, N.J.Baxter, G.M.Blackburn, M.Vas, J.P.Waltho. Transition State Analogue Structures of Human Phosphoglycerate Kinase Establish the Importance of Charge Balance in Catalysis. J.Am.Chem.Soc. V. 132 6507 2010.
ISSN: ISSN 0002-7863
PubMed: 20397725
DOI: 10.1021/JA100974T
Page generated: Mon Dec 14 07:45:41 2020

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