Atomistry » Magnesium » PDB 5kfu-5ktd » 5knu
Atomistry »
  Magnesium »
    PDB 5kfu-5ktd »
      5knu »

Magnesium in PDB 5knu: Crystal Structure of E. Coli Hypoxanthine Phosphoribosyltransferase in Complexed with 9-[N,N-(Bis-3-Phosphonopropyl)Aminomethyl]-9- Deazahypoxanthine

Protein crystallography data

The structure of Crystal Structure of E. Coli Hypoxanthine Phosphoribosyltransferase in Complexed with 9-[N,N-(Bis-3-Phosphonopropyl)Aminomethyl]-9- Deazahypoxanthine, PDB code: 5knu was solved by W.S.Eng, D.T.Keough, O.Baszczynski, D.Hockova, Z.Janeba, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.52 / 2.81
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 84.975, 84.975, 167.723, 90.00, 90.00, 120.00
R / Rfree (%) 17.6 / 22.1

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of E. Coli Hypoxanthine Phosphoribosyltransferase in Complexed with 9-[N,N-(Bis-3-Phosphonopropyl)Aminomethyl]-9- Deazahypoxanthine (pdb code 5knu). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of E. Coli Hypoxanthine Phosphoribosyltransferase in Complexed with 9-[N,N-(Bis-3-Phosphonopropyl)Aminomethyl]-9- Deazahypoxanthine, PDB code: 5knu:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 5knu

Go back to Magnesium Binding Sites List in 5knu
Magnesium binding site 1 out of 2 in the Crystal Structure of E. Coli Hypoxanthine Phosphoribosyltransferase in Complexed with 9-[N,N-(Bis-3-Phosphonopropyl)Aminomethyl]-9- Deazahypoxanthine


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 E. Coli Hypoxanthine Phosphoribosyltransferase in Complexed with 9-[N,N-(Bis-3-Phosphonopropyl)Aminomethyl]-9- Deazahypoxanthine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg202

b:0.5
occ:1.00
O A:HOH327 2.1 65.0 1.0
O A:HOH326 2.1 61.3 1.0
O A:HOH322 2.1 48.5 1.0
O A:HOH332 2.1 67.6 1.0
OE2 A:GLU103 2.1 66.5 1.0
OD1 A:ASP104 2.2 53.2 1.0
OE1 A:GLU103 2.2 79.2 1.0
CD A:GLU103 2.3 66.0 1.0
CG A:ASP104 3.2 44.2 1.0
OD2 A:ASP104 3.5 46.9 1.0
O A:HOH324 3.6 64.0 1.0
CG A:GLU103 3.7 46.2 1.0
N A:ASP104 4.1 40.9 1.0
O A:LEU45 4.2 35.6 1.0
O A:HOH330 4.2 56.2 1.0
O A:ILE105 4.5 45.8 1.0
CB A:LEU45 4.5 36.4 1.0
CB A:ASP104 4.5 31.7 1.0
N A:ILE105 4.6 38.3 1.0
CB A:GLU103 4.7 36.8 1.0
CA A:GLU103 4.8 32.2 1.0
CA A:ASP104 4.9 33.4 1.0
C A:GLU103 5.0 33.8 1.0

Magnesium binding site 2 out of 2 in 5knu

Go back to Magnesium Binding Sites List in 5knu
Magnesium binding site 2 out of 2 in the Crystal Structure of E. Coli Hypoxanthine Phosphoribosyltransferase in Complexed with 9-[N,N-(Bis-3-Phosphonopropyl)Aminomethyl]-9- Deazahypoxanthine


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of E. Coli Hypoxanthine Phosphoribosyltransferase in Complexed with 9-[N,N-(Bis-3-Phosphonopropyl)Aminomethyl]-9- Deazahypoxanthine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg202

b:0.5
occ:1.00
OE2 B:GLU103 2.0 68.4 1.0
O B:HOH331 2.1 70.5 1.0
O B:HOH325 2.1 75.0 1.0
O B:HOH327 2.1 63.2 1.0
OE1 B:GLU103 2.1 81.0 1.0
OD1 B:ASP104 2.2 58.8 1.0
CD B:GLU103 2.3 64.4 1.0
CG B:ASP104 3.2 53.1 1.0
OD2 B:ASP104 3.6 48.3 1.0
CG B:GLU103 3.9 49.9 1.0
N B:ASP104 4.1 32.7 1.0
O B:ILE105 4.3 45.3 1.0
OG B:SER49 4.4 50.8 1.0
CB B:ASP104 4.5 30.3 1.0
N B:ILE105 4.5 35.3 1.0
O B:LEU45 4.6 45.7 1.0
CAN B:6WA201 4.7 85.7 1.0
CB B:GLU103 4.7 35.3 1.0
CB B:LEU45 4.7 37.1 1.0
CA B:ASP104 4.8 31.3 1.0
CA B:GLU103 4.9 32.2 1.0
CG2 B:ILE105 4.9 39.8 1.0
C B:GLU103 5.0 30.8 1.0

Reference:

W.S.Eng, D.Hockova, P.Spacek, O.Baszczynski, Z.Janeba, L.Naesens, D.T.Keough, L.W.Guddat. Crystal Structures of Acyclic Nucleoside Phosphonates in Complex with Escherichia Coli Hypoxanthine Phosphoribosyltransferase Chemistryselect V. 1 6267 2016.
ISSN: ESSN 2365-6549
DOI: 10.1002/SLCT.201601679
Page generated: Mon Dec 14 20:38:01 2020

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