Atomistry » Calcium » PDB 3so0-3t2i » 3std
Atomistry »
  Calcium »
    PDB 3so0-3t2i »
      3std »

Calcium in PDB 3std: Scytalone Dehydratase and Cyanocinnoline Inhibitor

Enzymatic activity of Scytalone Dehydratase and Cyanocinnoline Inhibitor

All present enzymatic activity of Scytalone Dehydratase and Cyanocinnoline Inhibitor:
4.2.1.94;

Protein crystallography data

The structure of Scytalone Dehydratase and Cyanocinnoline Inhibitor, PDB code: 3std was solved by J.M.Chen, S.L.Xu, Z.Wawrzak, G.S.Basarab, D.B.Jordan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 8.00 / 1.65
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 80.230, 90.260, 162.140, 90.00, 90.00, 90.00
R / Rfree (%) 19.4 / 23

Calcium Binding Sites:

The binding sites of Calcium atom in the Scytalone Dehydratase and Cyanocinnoline Inhibitor (pdb code 3std). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Scytalone Dehydratase and Cyanocinnoline Inhibitor, PDB code: 3std:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 3std

Go back to Calcium Binding Sites List in 3std
Calcium binding site 1 out of 2 in the Scytalone Dehydratase and Cyanocinnoline Inhibitor


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Scytalone Dehydratase and Cyanocinnoline Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca501

b:19.2
occ:1.00
O B:ARG51 2.4 19.0 1.0
OD1 B:ASP55 2.5 20.5 1.0
O B:HOH596 2.6 31.7 1.0
O B:HOH564 2.6 22.5 1.0
O B:HOH627 2.7 46.3 1.0
C B:ARG51 3.5 18.3 1.0
CG B:ASP55 3.6 23.3 1.0
CA B:ASP55 4.2 16.1 1.0
CA B:SER52 4.2 20.1 1.0
N B:SER52 4.2 17.8 1.0
CB B:ASP55 4.3 17.4 1.0
O B:SER52 4.4 19.1 1.0
CA B:ARG51 4.4 16.2 1.0
N B:ASP55 4.6 14.4 1.0
C B:SER52 4.6 18.6 1.0
OD2 B:ASP55 4.6 23.3 1.0
CB B:ARG51 4.6 14.5 1.0

Calcium binding site 2 out of 2 in 3std

Go back to Calcium Binding Sites List in 3std
Calcium binding site 2 out of 2 in the Scytalone Dehydratase and Cyanocinnoline Inhibitor


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Scytalone Dehydratase and Cyanocinnoline Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca502

b:19.9
occ:1.00
O C:ARG51 2.5 15.1 1.0
OD1 C:ASP55 2.5 19.7 1.0
O C:HOH573 2.7 23.7 1.0
O C:HOH620 2.8 43.3 1.0
C C:ARG51 3.5 16.0 1.0
CG C:ASP55 3.5 20.8 1.0
CA C:ASP55 3.9 16.3 1.0
CB C:ASP55 4.0 17.2 1.0
N C:SER52 4.3 17.1 1.0
N C:ASP55 4.3 16.9 1.0
CA C:SER52 4.4 17.2 1.0
CA C:ARG51 4.4 15.8 1.0
OD2 C:ASP55 4.5 22.1 1.0
CB C:ARG51 4.6 16.0 1.0
O C:HOH619 4.6 29.9 1.0
O C:SER52 4.6 16.9 1.0
C C:SER52 4.8 17.4 1.0
O C:HOH642 4.8 46.0 1.0

Reference:

J.M.Chen, S.L.Xu, Z.Wawrzak, G.S.Basarab, D.B.Jordan. Structure-Based Design of Potent Inhibitors of Scytalone Dehydratase: Displacement of A Water Molecule From the Active Site. Biochemistry V. 37 17735 1998.
ISSN: ISSN 0006-2960
PubMed: 9922139
DOI: 10.1021/BI981848R
Page generated: Sat Dec 12 04:30:36 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