Atomistry » Magnesium » PDB 4p8r-4pj3 » 4pio
Atomistry »
  Magnesium »
    PDB 4p8r-4pj3 »
      4pio »

Magnesium in PDB 4pio: Ergothioneine-Biosynthetic Methyltransferase Egtd in Complex with N,N- Dimethylhistidine and Sah

Enzymatic activity of Ergothioneine-Biosynthetic Methyltransferase Egtd in Complex with N,N- Dimethylhistidine and Sah

All present enzymatic activity of Ergothioneine-Biosynthetic Methyltransferase Egtd in Complex with N,N- Dimethylhistidine and Sah:
2.1.1.44;

Protein crystallography data

The structure of Ergothioneine-Biosynthetic Methyltransferase Egtd in Complex with N,N- Dimethylhistidine and Sah, PDB code: 4pio was solved by A.Vit, F.P.Seebeck, W.Blankenfeldt, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 1.51
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 56.709, 67.511, 79.679, 90.00, 110.98, 90.00
R / Rfree (%) 14.8 / 18

Other elements in 4pio:

The structure of Ergothioneine-Biosynthetic Methyltransferase Egtd in Complex with N,N- Dimethylhistidine and Sah also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Ergothioneine-Biosynthetic Methyltransferase Egtd in Complex with N,N- Dimethylhistidine and Sah (pdb code 4pio). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 6 binding sites of Magnesium where determined in the Ergothioneine-Biosynthetic Methyltransferase Egtd in Complex with N,N- Dimethylhistidine and Sah, PDB code: 4pio:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6;

Magnesium binding site 1 out of 6 in 4pio

Go back to Magnesium Binding Sites List in 4pio
Magnesium binding site 1 out of 6 in the Ergothioneine-Biosynthetic Methyltransferase Egtd in Complex with N,N- Dimethylhistidine and Sah


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Ergothioneine-Biosynthetic Methyltransferase Egtd in Complex with N,N- Dimethylhistidine and Sah within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg403

b:33.9
occ:1.00
 O A:HOH851 2.1 22.8 1.0
O A:HOH922 2.1 35.2 1.0
O A:HOH875 2.1 26.1 1.0
O A:HOH973 2.2 37.3 1.0
O A:HOH885 2.3 29.2 1.0
O A:HIS239 4.0 11.2 1.0
OE2 A:GLU238 4.2 24.3 1.0
OD1 A:ASP207 4.2 13.9 1.0
OD2 A:ASP207 4.3 19.1 1.0
O A:HOH810 4.6 23.5 1.0
CG A:ASP207 4.7 12.4 1.0
HG2 A:GLU238 4.7 20.3 1.0
HG3 A:GLU238 4.8 20.3 1.0
CL A:CL407 5.0 26.2 1.0

Magnesium binding site 2 out of 6 in 4pio

Go back to Magnesium Binding Sites List in 4pio
Magnesium binding site 2 out of 6 in the Ergothioneine-Biosynthetic Methyltransferase Egtd in Complex with N,N- Dimethylhistidine and Sah


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Ergothioneine-Biosynthetic Methyltransferase Egtd in Complex with N,N- Dimethylhistidine and Sah within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg404

b:36.9
occ:1.00
 O A:HOH505 2.0 30.1 1.0
OD2 A:ASP233 2.0 27.2 1.0
O A:HOH556 2.1 28.7 1.0
O A:HOH633 2.2 35.9 1.0
CG A:ASP233 3.1 21.7 1.0
HB2 A:ASP233 3.3 17.1 1.0
CB A:ASP233 3.6 14.2 1.0
HE22 A:GLN260 3.6 19.0 1.0
HB3 A:ASP233 3.6 17.1 1.0
HB2 A:ALA236 4.1 21.0 1.0
OD1 A:ASP233 4.2 21.1 1.0
O A:HOH928 4.2 30.7 1.0
NE2 A:GLN260 4.4 15.8 1.0
HE21 A:GLN260 4.9 19.0 1.0
CB A:ALA236 5.0 17.5 1.0

Magnesium binding site 3 out of 6 in 4pio

Go back to Magnesium Binding Sites List in 4pio
Magnesium binding site 3 out of 6 in the Ergothioneine-Biosynthetic Methyltransferase Egtd in Complex with N,N- Dimethylhistidine and Sah


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Ergothioneine-Biosynthetic Methyltransferase Egtd in Complex with N,N- Dimethylhistidine and Sah within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg405

b:32.7
occ:1.00
 O A:HOH856 2.0 29.7 1.0
OD1 A:ASP233 2.1 21.1 1.0
O A:HOH625 2.2 35.9 1.0
O A:HOH502 2.3 38.0 1.0
OD1 A:ASP235 2.5 40.6 1.0
OD2 A:ASP235 2.9 42.5 1.0
CG A:ASP235 2.9 32.2 1.0
CG A:ASP233 3.1 21.7 1.0
H A:ASP235 3.2 18.4 1.0
OD2 A:ASP233 3.5 27.2 1.0
O A:HOH769 3.9 19.5 1.0
N A:ASP235 4.0 15.3 1.0
O B:HOH621 4.0 34.6 1.0
CB A:ASP235 4.2 25.6 1.0
HA A:ASP233 4.2 18.1 1.0
H A:LEU234 4.3 15.8 1.0
CB A:ASP233 4.4 14.2 1.0
HB3 A:ASP235 4.4 30.8 1.0
N A:LEU234 4.5 13.2 1.0
C A:ASP233 4.6 12.4 1.0
CA A:ASP233 4.6 15.1 1.0
CA A:ASP235 4.6 19.3 1.0
H A:ALA236 4.8 17.5 1.0
HB2 A:ASP235 4.9 30.8 1.0
HB2 A:ASP233 4.9 17.1 1.0
HB3 A:ASP233 5.0 17.1 1.0

Magnesium binding site 4 out of 6 in 4pio

Go back to Magnesium Binding Sites List in 4pio
Magnesium binding site 4 out of 6 in the Ergothioneine-Biosynthetic Methyltransferase Egtd in Complex with N,N- Dimethylhistidine and Sah


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Ergothioneine-Biosynthetic Methyltransferase Egtd in Complex with N,N- Dimethylhistidine and Sah within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg406

b:40.7
occ:1.00
 O A:HOH689 2.4 32.7 1.0
O A:HOH685 2.5 41.0 1.0
O A:HOH531 3.8 30.8 1.0
O A:HOH546 4.1 21.3 1.0
HG2 A:ARG101 4.9 14.7 1.0
HD2 A:ARG101 4.9 17.5 1.0

Magnesium binding site 5 out of 6 in 4pio

Go back to Magnesium Binding Sites List in 4pio
Magnesium binding site 5 out of 6 in the Ergothioneine-Biosynthetic Methyltransferase Egtd in Complex with N,N- Dimethylhistidine and Sah


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Ergothioneine-Biosynthetic Methyltransferase Egtd in Complex with N,N- Dimethylhistidine and Sah within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg403

b:19.9
occ:1.00
 O B:HOH680 2.1 19.0 1.0
O B:HOH966 3.7 37.4 1.0
O B:HOH508 3.7 33.4 1.0
HG3 B:GLU91 4.4 20.3 1.0
O B:HOH630 4.6 30.7 1.0
HB2 B:GLU91 5.0 15.5 1.0

Magnesium binding site 6 out of 6 in 4pio

Go back to Magnesium Binding Sites List in 4pio
Magnesium binding site 6 out of 6 in the Ergothioneine-Biosynthetic Methyltransferase Egtd in Complex with N,N- Dimethylhistidine and Sah


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Ergothioneine-Biosynthetic Methyltransferase Egtd in Complex with N,N- Dimethylhistidine and Sah within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg404

b:40.8
occ:1.00
 O B:HOH513 2.1 27.0 1.0
O B:HOH951 2.2 40.3 1.0
O B:HOH891 2.3 32.6 1.0
O B:HOH597 2.5 30.5 1.0
HA B:ARG226 3.7 14.2 1.0
HG B:SER229 3.7 26.7 1.0
O B:HOH777 4.0 26.1 1.0
O B:HOH904 4.1 34.1 1.0
HA B:SER229 4.2 19.7 1.0
O B:ARG226 4.3 14.5 1.0
O B:ASN225 4.4 13.6 1.0
OG B:SER229 4.5 22.3 1.0
HG3 B:ARG226 4.6 19.7 1.0
CA B:ARG226 4.6 11.9 1.0
C B:ARG226 4.9 13.9 1.0

Reference:

A.Vit, L.Misson, W.Blankenfeldt, F.P.Seebeck. Ergothioneine Biosynthetic Methyltransferase Egtd Reveals the Structural Basis of Aromatic Amino Acid Betaine Biosynthesis. Chembiochem 2014.
ISSN: ESSN 1439-7633
PubMed: 25404173
DOI: 10.1002/CBIC.201402522
Page generated: Tue Aug 20 01:22:36 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy