Atomistry » Fluorine » PDB 5srx-5tbe » 5std
Atomistry »
  Fluorine »
    PDB 5srx-5tbe »
      5std »

Fluorine in PDB 5std: Scytalone Dehydratase Plus Inhibitor 2

Enzymatic activity of Scytalone Dehydratase Plus Inhibitor 2

All present enzymatic activity of Scytalone Dehydratase Plus Inhibitor 2:
4.2.1.94;

Protein crystallography data

The structure of Scytalone Dehydratase Plus Inhibitor 2, PDB code: 5std was solved by Z.Wawrzak, T.Sandalova, J.J.Steffens, G.S.Basarab, T.Lundqvist, Y.Lindqvist, D.B.Jordan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.95
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 81.620, 92.290, 164.020, 90.00, 90.00, 90.00
R / Rfree (%) 21.2 / 25.9

Other elements in 5std:

The structure of Scytalone Dehydratase Plus Inhibitor 2 also contains other interesting chemical elements:

Calcium (Ca) 3 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Scytalone Dehydratase Plus Inhibitor 2 (pdb code 5std). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Scytalone Dehydratase Plus Inhibitor 2, PDB code: 5std:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 5std

Go back to Fluorine Binding Sites List in 5std
Fluorine binding site 1 out of 6 in the Scytalone Dehydratase Plus Inhibitor 2


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Scytalone Dehydratase Plus Inhibitor 2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F175

b:17.9
occ:1.00
 F28 A:UNN175 0.0 17.9 1.0
C2 A:UNN175 1.3 15.9 1.0
C1 A:UNN175 2.4 17.4 1.0
C3 A:UNN175 2.4 15.7 1.0
F29 A:UNN175 2.8 18.3 1.0
CB A:ALA127 3.0 8.0 1.0
CB A:VAL108 3.5 9.5 1.0
CE1 A:HIS110 3.5 15.4 1.0
CZ A:PHE158 3.5 23.1 1.0
CE1 A:PHE158 3.6 19.7 1.0
C4 A:UNN175 3.7 10.5 1.0
C10 A:UNN175 3.7 15.1 1.0
CD1 A:ILE151 3.7 24.6 1.0
CG2 A:VAL108 3.8 9.7 1.0
CG1 A:VAL108 3.9 7.8 1.0
NE2 A:HIS110 4.2 12.7 1.0
C5 A:UNN175 4.2 16.3 1.0
CA A:ALA127 4.3 9.8 1.0
CE2 A:PHE158 4.4 21.6 1.0
O A:VAL108 4.4 13.6 1.0
O A:HOH538 4.5 5.8 1.0
ND1 A:HIS110 4.5 9.6 1.0
N A:ALA127 4.6 11.7 1.0
CD1 A:PHE158 4.6 16.2 1.0
CG1 A:ILE151 4.6 17.4 1.0
CA A:VAL108 4.7 11.9 1.0
C A:ALA127 4.8 10.5 1.0
C9 A:UNN175 4.9 11.5 1.0
C22 A:UNN175 4.9 23.4 1.0
O A:ALA127 5.0 12.7 1.0

Fluorine binding site 2 out of 6 in 5std

Go back to Fluorine Binding Sites List in 5std
Fluorine binding site 2 out of 6 in the Scytalone Dehydratase Plus Inhibitor 2


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Scytalone Dehydratase Plus Inhibitor 2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F175

b:18.3
occ:1.00
 F29 A:UNN175 0.0 18.3 1.0
C3 A:UNN175 1.3 15.7 1.0
C4 A:UNN175 2.4 10.5 1.0
C2 A:UNN175 2.4 15.9 1.0
F28 A:UNN175 2.8 17.9 1.0
CB A:SER129 3.1 11.9 1.0
CG2 A:VAL108 3.4 9.7 1.0
C5 A:UNN175 3.7 16.3 1.0
C1 A:UNN175 3.7 17.4 1.0
CB A:ALA127 3.8 8.0 1.0
OG A:SER129 3.8 17.3 1.0
CB A:VAL108 4.0 9.5 1.0
CG1 A:ILE151 4.1 17.4 1.0
CD1 A:ILE151 4.1 24.6 1.0
C10 A:UNN175 4.2 15.1 1.0
CB A:LEU106 4.2 13.4 1.0
N A:SER129 4.3 15.6 1.0
O A:ALA127 4.3 12.7 1.0
CA A:SER129 4.3 14.3 1.0
CD2 A:LEU106 4.4 19.6 1.0
C A:ALA127 4.4 10.5 1.0
O A:LEU106 4.6 11.0 1.0
N A:VAL108 4.7 10.1 1.0
CA A:ALA127 4.7 9.8 1.0
C A:HIS128 4.7 12.5 1.0
ND2 A:ASN131 4.8 11.4 1.0
N6 A:UNN175 4.8 12.1 1.0
N A:HIS128 4.8 8.7 1.0
C A:LEU106 4.8 9.7 1.0
CG A:LEU106 4.9 15.2 1.0

Fluorine binding site 3 out of 6 in 5std

Go back to Fluorine Binding Sites List in 5std
Fluorine binding site 3 out of 6 in the Scytalone Dehydratase Plus Inhibitor 2


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Scytalone Dehydratase Plus Inhibitor 2 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F173

b:21.1
occ:1.00
 F28 B:UNN173 0.0 21.1 1.0
C2 B:UNN173 1.3 13.5 1.0
C3 B:UNN173 2.4 14.8 1.0
C1 B:UNN173 2.4 12.6 1.0
F29 B:UNN173 2.7 17.6 1.0
CB B:ALA127 3.1 13.9 1.0
CB B:VAL108 3.3 11.4 1.0
CE1 B:HIS110 3.4 8.0 1.0
CG2 B:VAL108 3.6 11.1 1.0
C4 B:UNN173 3.7 14.0 1.0
C10 B:UNN173 3.7 10.5 1.0
CZ B:PHE158 3.7 17.1 1.0
CG1 B:VAL108 3.8 9.0 1.0
CE1 B:PHE158 3.8 16.2 1.0
CD1 B:ILE151 4.1 23.2 1.0
NE2 B:HIS110 4.1 11.2 1.0
C5 B:UNN173 4.2 10.8 1.0
O B:VAL108 4.2 10.8 1.0
CA B:ALA127 4.3 12.5 1.0
ND1 B:HIS110 4.4 8.3 1.0
O B:HOH601 4.4 13.0 1.0
CA B:VAL108 4.5 11.7 1.0
N B:ALA127 4.6 14.8 1.0
CE2 B:PHE158 4.6 13.8 1.0
CD1 B:PHE158 4.7 17.8 1.0
C22 B:UNN173 4.8 20.8 1.0
C B:ALA127 4.8 14.3 1.0
C B:VAL108 4.8 12.8 1.0
N B:VAL108 4.9 11.2 1.0
CG1 B:ILE151 4.9 19.3 1.0
O B:ALA127 4.9 14.2 1.0
C9 B:UNN173 4.9 17.6 1.0

Fluorine binding site 4 out of 6 in 5std

Go back to Fluorine Binding Sites List in 5std
Fluorine binding site 4 out of 6 in the Scytalone Dehydratase Plus Inhibitor 2


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Scytalone Dehydratase Plus Inhibitor 2 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F173

b:17.6
occ:1.00
 F29 B:UNN173 0.0 17.6 1.0
C3 B:UNN173 1.3 14.8 1.0
C2 B:UNN173 2.4 13.5 1.0
C4 B:UNN173 2.4 14.0 1.0
F28 B:UNN173 2.7 21.1 1.0
CB B:SER129 3.1 10.6 1.0
CG2 B:VAL108 3.4 11.1 1.0
C1 B:UNN173 3.7 12.6 1.0
CB B:ALA127 3.7 13.9 1.0
C5 B:UNN173 3.7 10.8 1.0
OG B:SER129 3.9 17.7 1.0
CG1 B:ILE151 4.0 19.3 1.0
CB B:VAL108 4.1 11.4 1.0
CD1 B:ILE151 4.1 23.2 1.0
C10 B:UNN173 4.2 10.5 1.0
N B:SER129 4.2 11.8 1.0
O B:ALA127 4.3 14.2 1.0
C B:ALA127 4.3 14.3 1.0
CA B:SER129 4.3 14.1 1.0
CB B:LEU106 4.3 16.2 1.0
CD2 B:LEU106 4.5 22.4 1.0
CA B:ALA127 4.6 12.5 1.0
O B:LEU106 4.7 15.0 1.0
N B:VAL108 4.7 11.2 1.0
ND2 B:ASN131 4.7 6.7 1.0
C B:HIS128 4.7 15.6 1.0
N B:HIS128 4.7 14.7 1.0
N6 B:UNN173 4.8 13.3 1.0
C B:LEU106 4.9 13.6 1.0

Fluorine binding site 5 out of 6 in 5std

Go back to Fluorine Binding Sites List in 5std
Fluorine binding site 5 out of 6 in the Scytalone Dehydratase Plus Inhibitor 2


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Scytalone Dehydratase Plus Inhibitor 2 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F174

b:16.4
occ:1.00
 F28 C:UNN174 0.0 16.4 1.0
C2 C:UNN174 1.3 16.8 1.0
C3 C:UNN174 2.4 16.8 1.0
C1 C:UNN174 2.4 16.2 1.0
F29 C:UNN174 2.7 18.7 1.0
CB C:ALA127 2.9 11.1 1.0
CE1 C:HIS110 3.4 11.4 1.0
CB C:VAL108 3.4 12.2 1.0
C4 C:UNN174 3.7 13.6 1.0
CG2 C:VAL108 3.7 11.7 1.0
C10 C:UNN174 3.7 17.9 1.0
CZ C:PHE158 3.7 17.2 1.0
CE1 C:PHE158 3.8 17.0 1.0
CG1 C:VAL108 4.1 8.2 1.0
NE2 C:HIS110 4.1 12.9 1.0
CD1 C:ILE151 4.1 23.8 1.0
C5 C:UNN174 4.2 15.3 1.0
CA C:ALA127 4.2 16.9 1.0
O C:VAL108 4.4 10.8 1.0
ND1 C:HIS110 4.4 12.2 1.0
N C:ALA127 4.5 18.6 1.0
CE2 C:PHE158 4.6 15.5 1.0
CA C:VAL108 4.6 15.2 1.0
O C:HOH620 4.6 10.5 1.0
CG1 C:ILE151 4.7 19.7 1.0
CD1 C:PHE158 4.7 14.8 1.0
C C:ALA127 4.7 16.8 1.0
O C:ALA127 4.8 16.4 1.0
C22 C:UNN174 4.9 20.0 1.0
N C:VAL108 4.9 13.7 1.0
C9 C:UNN174 4.9 18.6 1.0
C C:VAL108 4.9 9.5 1.0

Fluorine binding site 6 out of 6 in 5std

Go back to Fluorine Binding Sites List in 5std
Fluorine binding site 6 out of 6 in the Scytalone Dehydratase Plus Inhibitor 2


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Scytalone Dehydratase Plus Inhibitor 2 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F174

b:18.7
occ:1.00
 F29 C:UNN174 0.0 18.7 1.0
C3 C:UNN174 1.3 16.8 1.0
C2 C:UNN174 2.4 16.8 1.0
C4 C:UNN174 2.4 13.6 1.0
F28 C:UNN174 2.7 16.4 1.0
CB C:SER129 3.0 9.6 1.0
CB C:ALA127 3.6 11.1 1.0
CG2 C:VAL108 3.6 11.7 1.0
C1 C:UNN174 3.7 16.2 1.0
C5 C:UNN174 3.7 15.3 1.0
OG C:SER129 3.7 15.1 1.0
CG1 C:ILE151 3.8 19.7 1.0
N C:SER129 4.1 12.0 1.0
CD1 C:ILE151 4.1 23.8 1.0
CA C:SER129 4.2 13.6 1.0
C10 C:UNN174 4.2 17.9 1.0
CB C:VAL108 4.3 12.2 1.0
O C:ALA127 4.3 16.4 1.0
C C:ALA127 4.3 16.8 1.0
CB C:LEU106 4.3 10.1 1.0
C C:HIS128 4.6 13.9 1.0
CD2 C:LEU106 4.6 12.5 1.0
O C:LEU106 4.6 9.0 1.0
CA C:ALA127 4.6 16.9 1.0
N C:HIS128 4.7 15.5 1.0
ND2 C:ASN131 4.7 9.5 1.0
N C:VAL108 4.8 13.7 1.0
N6 C:UNN174 4.8 16.9 1.0
C C:LEU106 4.9 7.4 1.0
CB C:ILE151 4.9 18.5 1.0

Reference:

Z.Wawrzak, T.Sandalova, J.J.Steffens, G.S.Basarab, T.Lundqvist, Y.Lindqvist, D.B.Jordan. High-Resolution Structures of Scytalone Dehydratase-Inhibitor Complexes Crystallized at Physiological pH. Proteins V. 35 425 1999.
ISSN: ISSN 0887-3585
PubMed: 10382670
DOI: 10.1002/(SICI)1097-0134(19990601)35:4<425::AID-PROT6>3.3.CO;2-T
Page generated: Thu Aug 1 14:55:48 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