Atomistry » Fluorine » PDB 5rmf-5rz6 » 5rw0
Atomistry »
  Fluorine »
    PDB 5rmf-5rz6 »
      5rw0 »

Fluorine in PDB 5rw0: Pandda Analysis Group Deposition -- Crystal Structure of DHTKD1 in Complex with Z2444997446

Enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of DHTKD1 in Complex with Z2444997446

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of DHTKD1 in Complex with Z2444997446:
1.2.4.2;

Protein crystallography data

The structure of Pandda Analysis Group Deposition -- Crystal Structure of DHTKD1 in Complex with Z2444997446, PDB code: 5rw0 was solved by G.A.Bezerra, W.R.Foster, H.J.Bailey, L.Shrestha, T.Krojer, J.Brandao-Neto, A.Douangamath, N.Burgess-Brown, F.Von Delft, C.H.Arrowsmith, A.Edwards, C.Bountra, W.W.Yue, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 85.07 / 1.67
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 78.130, 147.127, 87.273, 90.00, 102.91, 90.00
R / Rfree (%) 16.1 / 18.7

Other elements in 5rw0:

The structure of Pandda Analysis Group Deposition -- Crystal Structure of DHTKD1 in Complex with Z2444997446 also contains other interesting chemical elements:

Magnesium (Mg) 3 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of DHTKD1 in Complex with Z2444997446 (pdb code 5rw0). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 5 binding sites of Fluorine where determined in the Pandda Analysis Group Deposition -- Crystal Structure of DHTKD1 in Complex with Z2444997446, PDB code: 5rw0:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5;

Fluorine binding site 1 out of 5 in 5rw0

Go back to Fluorine Binding Sites List in 5rw0
Fluorine binding site 1 out of 5 in the Pandda Analysis Group Deposition -- Crystal Structure of DHTKD1 in Complex with Z2444997446


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Pandda Analysis Group Deposition -- Crystal Structure of DHTKD1 in Complex with Z2444997446 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1001

b:19.8
occ:0.56
 F1 A:WGD1001 0.0 19.8 0.6
C6 A:WGD1001 1.4 19.0 0.6
C7 A:WGD1001 2.4 18.8 0.6
C5 A:WGD1001 2.4 18.7 0.6
N2 A:WGD1001 2.8 18.6 0.6
C8 A:WGD1001 3.1 18.6 0.6
O A:HOH1974 3.1 41.4 1.0
N3 A:WGD1001 3.2 18.5 0.6
O A:HOH1104 3.4 41.1 1.0
O A:HOH1898 3.5 55.6 1.0
C9 A:WGD1001 3.7 18.6 0.6
O A:SER314 3.9 18.1 1.0
O A:ASP312 4.0 14.2 1.0
C4 A:WGD1001 4.2 17.9 0.6
N1 A:WGD1001 4.7 17.2 0.6
C3 A:WGD1001 4.7 17.3 0.6
C A:SER314 4.8 16.7 1.0
O A:HOH1784 4.9 43.6 1.0

Fluorine binding site 2 out of 5 in 5rw0

Go back to Fluorine Binding Sites List in 5rw0
Fluorine binding site 2 out of 5 in the Pandda Analysis Group Deposition -- Crystal Structure of DHTKD1 in Complex with Z2444997446


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Pandda Analysis Group Deposition -- Crystal Structure of DHTKD1 in Complex with Z2444997446 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1002

b:56.5
occ:0.56
 F1 A:WGD1002 0.0 56.5 0.6
C6 A:WGD1002 1.4 56.7 0.6
C7 A:WGD1002 2.4 56.8 0.6
C5 A:WGD1002 2.4 56.7 0.6
C8 A:WGD1002 2.8 56.9 0.6
N2 A:WGD1002 2.9 56.7 0.6
O A:HOH1230 3.6 19.8 1.0
C9 A:WGD1002 4.3 57.0 0.6
C4 A:WGD1002 4.3 56.4 0.6
N3 A:WGD1002 4.9 57.1 0.6
C3 A:WGD1002 5.0 56.4 0.6

Fluorine binding site 3 out of 5 in 5rw0

Go back to Fluorine Binding Sites List in 5rw0
Fluorine binding site 3 out of 5 in the Pandda Analysis Group Deposition -- Crystal Structure of DHTKD1 in Complex with Z2444997446


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Pandda Analysis Group Deposition -- Crystal Structure of DHTKD1 in Complex with Z2444997446 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1003

b:37.1
occ:0.68
 F1 A:WGD1003 0.0 37.1 0.7
C6 A:WGD1003 1.4 37.1 0.7
C5 A:WGD1003 2.4 36.6 0.7
C7 A:WGD1003 2.4 37.1 0.7
N2 A:WGD1003 2.8 36.4 0.7
C8 A:WGD1003 3.0 37.2 0.7
O B:ASN350 3.7 18.6 1.0
O A:GLU375 3.9 20.2 1.0
C4 A:WGD1003 4.2 35.5 0.7
C9 A:WGD1003 4.5 38.0 0.7
CD B:PRO352 4.6 15.9 1.0
N1 A:WGD1003 4.6 34.9 0.7
O B:HOH1472 4.6 28.3 1.0
C B:ASN350 4.8 17.2 1.0
C3 A:WGD1003 4.8 34.9 0.7
CD2 B:LEU351 4.9 19.0 1.0
O A:ARG378 5.0 16.1 1.0
C A:GLU375 5.0 19.4 1.0

Fluorine binding site 4 out of 5 in 5rw0

Go back to Fluorine Binding Sites List in 5rw0
Fluorine binding site 4 out of 5 in the Pandda Analysis Group Deposition -- Crystal Structure of DHTKD1 in Complex with Z2444997446


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Pandda Analysis Group Deposition -- Crystal Structure of DHTKD1 in Complex with Z2444997446 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1001

b:33.1
occ:0.58
 F1 B:WGD1001 0.0 33.1 0.6
C6 B:WGD1001 1.4 32.9 0.6
C7 B:WGD1001 2.4 32.9 0.6
C5 B:WGD1001 2.4 32.8 0.6
N2 B:WGD1001 2.8 32.7 0.6
C8 B:WGD1001 3.1 32.9 0.6
N3 B:WGD1001 3.2 33.1 0.6
O B:HOH1134 3.3 50.1 1.0
C9 B:WGD1001 3.7 32.9 0.6
O B:SER314 4.1 30.6 1.0
O B:ASP312 4.2 23.1 1.0
C4 B:WGD1001 4.2 32.1 0.6
N1 B:WGD1001 4.7 31.4 0.6
C3 B:WGD1001 4.8 31.6 0.6
C B:SER314 4.8 30.8 1.0

Fluorine binding site 5 out of 5 in 5rw0

Go back to Fluorine Binding Sites List in 5rw0
Fluorine binding site 5 out of 5 in the Pandda Analysis Group Deposition -- Crystal Structure of DHTKD1 in Complex with Z2444997446


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Pandda Analysis Group Deposition -- Crystal Structure of DHTKD1 in Complex with Z2444997446 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1002

b:37.5
occ:0.46
 F1 B:WGD1002 0.0 37.5 0.5
C6 B:WGD1002 1.4 37.4 0.5
C7 B:WGD1002 2.4 37.5 0.5
C5 B:WGD1002 2.4 36.9 0.5
O A:HOH2000 2.9 41.1 1.0
O B:HOH1399 2.9 32.1 1.0
N2 B:WGD1002 3.1 36.6 0.5
C4 B:WGD1002 3.2 35.9 0.5
C8 B:WGD1002 3.5 37.2 0.5
O B:GLU375 3.6 18.6 1.0
O A:ASN350 3.7 14.9 1.0
C3 B:WGD1002 4.3 35.0 0.5
N1 B:WGD1002 4.4 34.8 0.5
C9 B:WGD1002 4.6 37.6 0.5
CD A:PRO352 4.6 14.3 1.0
O A:HOH1533 4.7 22.8 1.0
C B:GLU375 4.7 18.7 1.0
O B:ARG378 4.7 16.8 1.0
CD2 A:LEU351 4.7 15.9 1.0
C A:ASN350 4.8 14.5 1.0

Reference:

G.A.Bezerra, W.R.Foster, H.J.Bailey, L.Shrestha, T.Krojer, J.Brandao-Neto, A.Douangamath, N.Burgess-Brown, F.Von Delft, C.H.Arrowsmith, A.Edwards, C.Bountra, W.W.Yue. Pandda Analysis Group Deposition To Be Published.
Page generated: Thu Aug 1 13:58:58 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy