Atomistry » Manganese » PDB 8awx-8djy » 8c2z
Atomistry »
  Manganese »
    PDB 8awx-8djy »
      8c2z »

Manganese in PDB 8c2z: Crystal Structure of DYRK1B in Complex with AZ191

Enzymatic activity of Crystal Structure of DYRK1B in Complex with AZ191

All present enzymatic activity of Crystal Structure of DYRK1B in Complex with AZ191:
2.7.12.1;

Protein crystallography data

The structure of Crystal Structure of DYRK1B in Complex with AZ191, PDB code: 8c2z was solved by P.Grygier, K.Pustelny, G.Dubin, A.Czarna, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.41 / 1.91
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 115.896, 121.509, 54.021, 90, 90, 90
R / Rfree (%) 17.7 / 22

Manganese Binding Sites:

The binding sites of Manganese atom in the Crystal Structure of DYRK1B in Complex with AZ191 (pdb code 8c2z). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 3 binding sites of Manganese where determined in the Crystal Structure of DYRK1B in Complex with AZ191, PDB code: 8c2z:
Jump to Manganese binding site number: 1; 2; 3;

Manganese binding site 1 out of 3 in 8c2z

Go back to Manganese Binding Sites List in 8c2z
Manganese binding site 1 out of 3 in the Crystal Structure of DYRK1B in Complex with AZ191


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of DYRK1B in Complex with AZ191 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn502

b:49.4
occ:1.00
OD2 A:ASP259 2.0 41.1 1.0
O A:HOH675 2.1 41.4 1.0
O A:HOH667 2.2 44.7 1.0
O A:HOH616 2.2 43.9 1.0
OD2 A:ASP239 2.2 39.7 1.0
O A:HOH703 2.3 47.4 1.0
CG A:ASP259 2.9 46.0 1.0
OD1 A:ASP259 3.2 38.1 1.0
CG A:ASP239 3.3 45.6 1.0
CB A:ASP239 3.8 40.0 1.0
NZ A:LYS241 4.0 44.8 1.0
O A:HOH645 4.1 35.5 1.0
ND2 A:ASN244 4.3 36.2 1.0
O A:HOH743 4.3 54.1 1.0
O A:HOH742 4.3 56.4 1.0
OD1 A:ASP239 4.3 43.6 1.0
CB A:ASP259 4.3 38.4 1.0
OG A:SER262 4.4 54.5 1.0
O A:HOH627 4.5 42.6 1.0
OG A:SER121 4.7 68.2 1.0
CD1 A:PHE122 4.8 61.9 1.0
CE A:LYS241 5.0 40.6 1.0
O A:ASP259 5.0 39.1 1.0

Manganese binding site 2 out of 3 in 8c2z

Go back to Manganese Binding Sites List in 8c2z
Manganese binding site 2 out of 3 in the Crystal Structure of DYRK1B in Complex with AZ191


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of DYRK1B in Complex with AZ191 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn503

b:92.0
occ:1.00
O A:HOH709 2.0 66.1 1.0
O A:HOH708 2.2 74.1 1.0
NE2 A:HIS179 2.2 63.0 1.0
OE2 A:GLU160 2.7 72.6 1.0
OE1 A:GLU160 2.9 77.1 1.0
CE1 A:HIS179 3.1 60.1 1.0
CD A:GLU160 3.2 69.2 1.0
CD2 A:HIS179 3.2 54.9 1.0
ND1 A:HIS179 4.3 55.8 1.0
CG A:HIS179 4.4 53.0 1.0
CG A:GLU160 4.8 56.1 1.0
O A:HOH752 4.9 53.8 1.0

Manganese binding site 3 out of 3 in 8c2z

Go back to Manganese Binding Sites List in 8c2z
Manganese binding site 3 out of 3 in the Crystal Structure of DYRK1B in Complex with AZ191


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Crystal Structure of DYRK1B in Complex with AZ191 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn504

b:88.9
occ:1.00
O A:HOH665 2.1 69.8 1.0
O A:THR308 2.4 41.8 1.0
O A:HOH771 2.5 68.5 1.0
O A:HOH670 2.6 58.5 1.0
C A:THR308 3.4 38.0 1.0
CA A:THR308 3.8 36.7 1.0
CB A:THR308 3.8 44.6 1.0
NH2 A:ARG207 4.0 45.6 1.0
O A:ARG207 4.4 37.1 1.0
O A:HOH749 4.4 62.1 1.0
CZ A:ARG207 4.4 50.1 1.0
O A:HOH688 4.4 55.4 1.0
N A:GLY309 4.7 37.0 1.0
NH1 A:ARG207 4.7 49.3 1.0
OG1 A:THR308 4.8 36.4 1.0
CG2 A:THR308 4.8 44.8 1.0
O A:PHE206 4.9 43.3 1.0
NE A:ARG207 4.9 49.2 1.0
C A:ARG207 5.0 37.5 1.0

Reference:

P.Grygier, K.Pustelny, G.Dubin, A.Czarna. Structural Perspective on the Design of Selective DYRK1B Inhibitors To Be Published.
Page generated: Sun Oct 6 11:27:39 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