Atomistry » Magnesium » PDB 2iea-2iut » 2iof
Atomistry »
  Magnesium »
    PDB 2iea-2iut »
      2iof »

Magnesium in PDB 2iof: Crystal Structure of Phosphonoacetaldehyde Hydrolase with Sodium Borohydride-Reduced Substrate Intermediate

Protein crystallography data

The structure of Crystal Structure of Phosphonoacetaldehyde Hydrolase with Sodium Borohydride-Reduced Substrate Intermediate, PDB code: 2iof was solved by K.A.Allen, S.D.Lahiri, G.Zhang, D.Dunaway-Mariano, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 100.00 / 2.50
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 159.820, 64.020, 98.330, 90.00, 123.52, 90.00
R / Rfree (%) 23.1 / 29.8

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Phosphonoacetaldehyde Hydrolase with Sodium Borohydride-Reduced Substrate Intermediate (pdb code 2iof). 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 Phosphonoacetaldehyde Hydrolase with Sodium Borohydride-Reduced Substrate Intermediate, PDB code: 2iof:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 2iof

Go back to Magnesium Binding Sites List in 2iof
Magnesium binding site 1 out of 2 in the Crystal Structure of Phosphonoacetaldehyde Hydrolase with Sodium Borohydride-Reduced Substrate Intermediate


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 Phosphonoacetaldehyde Hydrolase with Sodium Borohydride-Reduced Substrate Intermediate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg462

b:13.3
occ:1.00
O A:ALA14 2.3 18.3 1.0
O3 A:PO4361 2.4 39.1 1.0
OD1 A:ASP186 2.4 28.0 1.0
OD2 A:ASP12 2.5 23.2 1.0
OD2 A:ASP186 2.7 27.1 1.0
CG A:ASP186 2.9 27.1 1.0
C A:ALA14 3.5 19.2 1.0
CG A:ASP12 3.7 20.9 1.0
P A:PO4361 3.8 38.6 1.0
CG2 A:THR187 3.9 22.6 1.0
O1 A:PO4361 4.2 39.0 1.0
OD2 A:ASP190 4.3 32.4 1.0
OD1 A:ASP12 4.3 22.0 1.0
CB A:ASP186 4.4 25.5 1.0
O A:HOH576 4.4 35.4 1.0
CA A:ALA14 4.4 18.0 1.0
O4 A:PO4361 4.5 38.0 1.0
SG A:CYS22 4.5 33.7 1.0
N A:GLY15 4.5 21.2 1.0
N A:ALA14 4.5 16.6 1.0
CB A:ALA14 4.6 18.2 1.0
CA A:GLY15 4.7 23.2 1.0
O2 A:PO4361 4.7 36.5 1.0
OG1 A:THR16 4.8 25.0 1.0
N A:ASP186 4.8 24.5 1.0
NH1 A:ARG160 4.9 33.1 1.0
CB A:ASP12 4.9 17.4 1.0
CA A:ASP186 4.9 24.9 1.0

Magnesium binding site 2 out of 2 in 2iof

Go back to Magnesium Binding Sites List in 2iof
Magnesium binding site 2 out of 2 in the Crystal Structure of Phosphonoacetaldehyde Hydrolase with Sodium Borohydride-Reduced Substrate Intermediate


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 Phosphonoacetaldehyde Hydrolase with Sodium Borohydride-Reduced Substrate Intermediate within 5.0Å range:
probe atom residue distance (Å) B Occ
K:Mg462

b:2.9
occ:1.00
O K:HOH535 2.2 2.3 1.0
OD1 K:ASP186 2.3 25.1 1.0
O1 K:PO4361 2.4 42.9 1.0
O K:ALA14 2.5 11.9 1.0
OD2 K:ASP186 2.7 21.4 1.0
OD1 K:ASP12 2.7 15.3 1.0
CG K:ASP186 2.8 22.6 1.0
O K:HOH631 3.3 45.5 1.0
C K:ALA14 3.7 11.4 1.0
CG K:ASP12 3.8 12.2 1.0
P K:PO4361 3.8 43.4 1.0
OG1 K:THR187 4.0 19.6 1.0
OD2 K:ASP12 4.1 11.5 1.0
OD1 K:ASP190 4.2 23.3 1.0
O K:HOH527 4.2 6.2 1.0
CG2 K:THR187 4.2 20.2 1.0
CB K:ASP186 4.3 20.8 1.0
O3 K:PO4361 4.3 42.2 1.0
O2 K:PO4361 4.4 43.4 1.0
O K:HOH616 4.5 35.9 1.0
N K:GLY15 4.6 11.1 1.0
CA K:GLY15 4.6 10.3 1.0
CA K:ALA14 4.7 11.2 1.0
N K:ASP186 4.7 18.9 1.0
NH1 K:ARG160 4.7 21.9 1.0
O4 K:PO4361 4.8 43.2 1.0
CB K:THR187 4.8 19.8 1.0
CB K:ALA14 4.8 10.7 1.0
N K:ALA14 4.8 10.9 1.0
CA K:ASP186 4.9 19.8 1.0
O K:HOH588 4.9 29.4 1.0
C K:ASP186 4.9 19.4 1.0
OG1 K:THR16 4.9 1.4 1.0
N K:THR187 5.0 18.9 1.0

Reference:

S.D.Lahiri, G.Zhang, D.Dunaway-Mariano, K.N.Allen. Diversification of Function in the Haloacid Dehalogenase Enzyme Superfamily: the Role of the Cap Domain in Hydrolytic Phosphoruscarbon Bond Cleavage. Bioorg.Chem. V. 34 394 2006.
ISSN: ISSN 0045-2068
PubMed: 17070898
DOI: 10.1016/J.BIOORG.2006.09.007
Page generated: Mon Dec 14 07:27:35 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy