Atomistry » Calcium » PDB 4x8e-4xur » 4x8e
Atomistry »
  Calcium »
    PDB 4x8e-4xur »
      4x8e »

Calcium in PDB 4x8e: Ergothioneine-Biosynthetic Sulfoxide Synthase Egtb in Complex with N, N,N-Trimethyl-Histidine

Protein crystallography data

The structure of Ergothioneine-Biosynthetic Sulfoxide Synthase Egtb in Complex with N, N,N-Trimethyl-Histidine, PDB code: 4x8e was solved by A.Vit, K.V.Goncharenko, W.Blankenfeldt, F.P.Seebeck, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.97 / 1.60
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 135.241, 135.241, 142.043, 90.00, 90.00, 90.00
R / Rfree (%) 14.5 / 16.3

Other elements in 4x8e:

The structure of Ergothioneine-Biosynthetic Sulfoxide Synthase Egtb in Complex with N, N,N-Trimethyl-Histidine also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms
Iron (Fe) 2 atoms
Chlorine (Cl) 7 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Ergothioneine-Biosynthetic Sulfoxide Synthase Egtb in Complex with N, N,N-Trimethyl-Histidine (pdb code 4x8e). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Ergothioneine-Biosynthetic Sulfoxide Synthase Egtb in Complex with N, N,N-Trimethyl-Histidine, PDB code: 4x8e:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 4x8e

Go back to Calcium Binding Sites List in 4x8e
Calcium binding site 1 out of 2 in the Ergothioneine-Biosynthetic Sulfoxide Synthase Egtb in Complex with N, N,N-Trimethyl-Histidine


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Ergothioneine-Biosynthetic Sulfoxide Synthase Egtb in Complex with N, N,N-Trimethyl-Histidine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca516

b:17.5
occ:1.00
O A:GLY356 2.6 15.8 1.0
O A:VAL358 2.6 14.2 1.0
O A:MET354 2.7 14.7 1.0
O A:GLY399 2.9 19.0 1.0
O A:HOH701 2.9 16.1 1.0
HA3 A:GLY398 3.1 17.5 1.0
OE2 A:GLU360 3.2 15.0 1.0
HG3 A:GLU360 3.4 18.1 1.0
O A:GLN353 3.4 15.0 1.0
H A:VAL358 3.5 16.7 1.0
C A:MET354 3.5 13.2 1.0
O A:GLY398 3.6 15.6 1.0
H A:GLY356 3.6 18.0 1.0
C A:GLY398 3.7 15.2 1.0
C A:VAL358 3.7 15.3 1.0
C A:GLY356 3.7 15.6 1.0
N A:GLY356 3.8 15.0 1.0
HA A:LEU355 3.8 17.4 1.0
CD A:GLU360 3.9 16.7 1.0
HA A:MET354 3.9 16.9 0.5
CA A:GLY398 3.9 14.6 1.0
HA A:MET354 4.0 18.4 0.5
N A:VAL358 4.0 13.9 1.0
C A:GLY399 4.1 18.0 1.0
O A:ARG397 4.1 15.2 1.0
C A:LEU355 4.1 15.2 1.0
HZ2 A:TRP299 4.1 18.3 1.0
CG A:GLU360 4.1 15.1 1.0
HA A:TRP359 4.2 16.8 1.0
N A:LEU355 4.2 16.0 1.0
CA A:MET354 4.3 14.1 0.5
CA A:LEU355 4.3 14.5 1.0
N A:GLY399 4.3 15.6 1.0
CA A:GLY356 4.3 15.2 1.0
CA A:MET354 4.3 15.4 0.5
HB2 A:ASP357 4.3 19.0 1.0
HA2 A:GLY398 4.4 17.5 1.0
HH21 A:ARG428 4.5 17.2 1.0
CA A:VAL358 4.5 12.8 1.0
C A:GLN353 4.5 14.1 1.0
HG23 A:VAL358 4.6 19.9 1.0
N A:TRP359 4.6 13.6 1.0
HA A:SER400 4.6 16.4 1.0
H A:GLY399 4.7 18.8 1.0
CA A:GLY399 4.7 15.6 1.0
HA2 A:GLY356 4.7 18.3 1.0
O A:LEU355 4.7 16.2 1.0
OE1 A:GLU360 4.7 14.8 1.0
HG2 A:GLU360 4.8 18.1 1.0
H A:GLU360 4.8 17.1 1.0
N A:ASP357 4.8 15.4 1.0
CA A:TRP359 4.8 14.0 1.0
HG22 A:VAL358 4.8 19.9 1.0
N A:GLY398 4.9 14.1 1.0
C A:ARG397 4.9 14.8 1.0
HB2 A:GLU360 4.9 17.5 1.0
N A:MET354 4.9 14.2 1.0
C A:ASP357 4.9 15.6 1.0
N A:GLU360 5.0 14.2 1.0
H A:LEU355 5.0 19.2 1.0

Calcium binding site 2 out of 2 in 4x8e

Go back to Calcium Binding Sites List in 4x8e
Calcium binding site 2 out of 2 in the Ergothioneine-Biosynthetic Sulfoxide Synthase Egtb in Complex with N, N,N-Trimethyl-Histidine


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Ergothioneine-Biosynthetic Sulfoxide Synthase Egtb in Complex with N, N,N-Trimethyl-Histidine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca509

b:27.6
occ:1.00
O B:VAL358 2.5 22.8 1.0
O B:GLY356 2.6 24.8 1.0
O B:MET354 2.6 25.9 1.0
O B:GLY399 2.9 30.8 1.0
O B:HOH633 2.9 25.0 1.0
HA3 B:GLY398 3.1 29.4 1.0
OE2 B:GLU360 3.3 25.8 1.0
HG3 B:GLU360 3.4 31.4 1.0
H B:VAL358 3.4 28.5 1.0
C B:MET354 3.5 26.9 1.0
O B:GLN353 3.5 27.8 1.0
O B:GLY398 3.6 25.8 1.0
C B:GLY398 3.6 23.6 1.0
C B:VAL358 3.6 23.6 1.0
H B:GLY356 3.7 31.6 1.0
C B:GLY356 3.7 24.8 1.0
N B:GLY356 3.8 26.4 1.0
CA B:GLY398 3.8 24.5 1.0
HA B:LEU355 3.8 32.6 1.0
CD B:GLU360 3.9 28.1 1.0
HA B:MET354 3.9 30.8 0.7
N B:VAL358 4.0 23.8 1.0
HA B:MET354 4.0 31.7 0.3
C B:GLY399 4.0 32.2 1.0
O B:ARG397 4.0 24.1 1.0
C B:LEU355 4.1 25.6 1.0
CG B:GLU360 4.1 26.2 1.0
HA B:TRP359 4.1 27.3 1.0
HZ2 B:TRP299 4.2 28.8 1.0
N B:GLY399 4.2 24.7 1.0
CA B:LEU355 4.3 27.2 1.0
N B:LEU355 4.3 27.0 1.0
CA B:MET354 4.3 25.6 0.7
CA B:GLY356 4.3 24.5 1.0
HA2 B:GLY398 4.3 29.4 1.0
CA B:MET354 4.3 26.4 0.3
HB2 B:ASP357 4.4 31.7 1.0
CA B:VAL358 4.4 22.8 1.0
HH21 B:ARG428 4.5 34.0 1.0
HG23 B:VAL358 4.5 32.2 1.0
N B:TRP359 4.5 22.2 1.0
C B:GLN353 4.6 26.1 1.0
HA B:SER400 4.6 27.3 1.0
H B:GLY399 4.6 29.6 1.0
H B:GLU360 4.7 26.4 1.0
CA B:GLY399 4.7 24.6 1.0
O B:LEU355 4.7 30.1 1.0
CA B:TRP359 4.7 22.8 1.0
HA2 B:GLY356 4.7 29.4 1.0
HG2 B:GLU360 4.7 31.4 1.0
OE1 B:GLU360 4.7 25.8 1.0
N B:ASP357 4.8 25.0 1.0
N B:GLY398 4.8 24.0 1.0
HG22 B:VAL358 4.8 32.2 1.0
C B:ARG397 4.8 21.7 1.0
C B:ASP357 4.9 25.3 1.0
N B:GLU360 4.9 22.0 1.0
HB2 B:GLU360 4.9 29.9 1.0
N B:MET354 4.9 28.6 1.0
C B:TRP359 5.0 24.8 1.0

Reference:

K.V.Goncharenko, A.Vit, W.Blankenfeldt, F.P.Seebeck. Structure of the Sulfoxide Synthase Egtb From the Ergothioneine Biosynthetic Pathway. Angew.Chem.Int.Ed.Engl. 2015.
ISSN: ESSN 1521-3773
PubMed: 25597398
DOI: 10.1002/ANIE.201410045
Page generated: Sat Dec 12 05:11:47 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