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Chlorine 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:

Magnesium (Mg) 6 atoms

Chlorine Binding Sites:

The binding sites of Chlorine 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 Chlorine atom.
In total only one binding site of Chlorine was determined in the Ergothioneine-Biosynthetic Methyltransferase Egtd in Complex with N,N- Dimethylhistidine and Sah, PDB code: 4pio:

Chlorine binding site 1 out of 1 in 4pio

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


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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:Cl407

b:26.2
occ:1.00
 HH22 A:ARG218 1.9 31.9 0.5
HH21 A:ARG218 2.4 31.9 0.5
NH2 A:ARG218 2.4 26.6 0.5
H A:HIS239 2.5 13.7 1.0
HH12 A:ARG218 2.5 23.8 0.5
HG3 A:GLU238 3.1 20.3 1.0
HH21 A:ARG257 3.1 39.1 1.0
HB3 A:HIS239 3.1 11.4 1.0
HA A:GLU238 3.2 12.9 1.0
HH22 A:ARG257 3.2 39.1 1.0
N A:HIS239 3.3 11.4 1.0
O A:HOH922 3.3 35.2 1.0
NH1 A:ARG218 3.3 19.8 0.5
NH2 A:ARG257 3.5 32.6 1.0
O A:HOH850 3.6 24.9 1.0
CZ A:ARG218 3.7 16.7 0.5
HH11 A:ARG218 3.7 23.8 0.5
HH22 A:ARG218 3.8 20.3 0.5
CG A:GLU238 3.8 16.9 1.0
HG2 A:GLU238 3.9 20.3 1.0
CB A:HIS239 3.9 9.5 1.0
CA A:GLU238 4.0 10.8 1.0
HH12 A:ARG218 4.0 22.0 0.5
HB1 A:ALA214 4.0 12.9 1.0
HB2 A:HIS239 4.1 11.4 1.0
C A:GLU238 4.1 7.8 1.0
CA A:HIS239 4.1 11.0 1.0
NH1 A:ARG218 4.2 18.3 0.5
O A:HIS239 4.3 11.2 1.0
CZ A:ARG218 4.3 17.5 0.5
NH2 A:ARG218 4.4 16.9 0.5
CB A:GLU238 4.4 14.5 1.0
O A:HOH851 4.4 22.8 1.0
O A:HOH893 4.5 29.9 1.0
HB2 A:ALA214 4.5 12.9 1.0
HE A:ARG218 4.6 18.7 0.5
NE A:ARG218 4.6 15.6 0.5
C A:HIS239 4.7 10.6 1.0
CZ A:ARG257 4.7 26.8 1.0
CB A:ALA214 4.7 10.7 1.0
HB2 A:GLU238 4.7 17.4 1.0
O A:PHE237 4.8 14.9 1.0
O A:HOH652 4.9 35.5 1.0
MG A:MG403 5.0 33.9 1.0
HA A:HIS239 5.0 13.2 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: Sat Dec 12 11:03:18 2020

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