Atomistry » Fluorine » PDB 2gtn-2ihj » 2i7d
Atomistry »
  Fluorine »
    PDB 2gtn-2ihj »
      2i7d »

Fluorine in PDB 2i7d: Structure of Human Cytosolic Deoxyribonucleotidase in Complex with Deoxyuridine, ALF4 and MG2+

Protein crystallography data

The structure of Structure of Human Cytosolic Deoxyribonucleotidase in Complex with Deoxyuridine, ALF4 and MG2+, PDB code: 2i7d was solved by A.Rinaldo-Matthis, K.Wallden, P.Nordlund, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.10 / 1.20
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 39.623, 47.153, 62.384, 68.92, 81.69, 74.99
R / Rfree (%) 16.6 / 19.6

Other elements in 2i7d:

The structure of Structure of Human Cytosolic Deoxyribonucleotidase in Complex with Deoxyuridine, ALF4 and MG2+ also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms
Aluminium (Al) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Structure of Human Cytosolic Deoxyribonucleotidase in Complex with Deoxyuridine, ALF4 and MG2+ (pdb code 2i7d). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 8 binding sites of Fluorine where determined in the Structure of Human Cytosolic Deoxyribonucleotidase in Complex with Deoxyuridine, ALF4 and MG2+, PDB code: 2i7d:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Fluorine binding site 1 out of 8 in 2i7d

Go back to Fluorine Binding Sites List in 2i7d
Fluorine binding site 1 out of 8 in the Structure of Human Cytosolic Deoxyribonucleotidase in Complex with Deoxyuridine, ALF4 and MG2+


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of Human Cytosolic Deoxyribonucleotidase in Complex with Deoxyuridine, ALF4 and MG2+ within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F400

b:6.9
occ:1.00
F1 A:ALF400 0.0 6.9 1.0
AL A:ALF400 1.8 5.7 1.0
MG A:MG728 2.0 4.9 1.0
F3 A:ALF400 2.4 9.2 1.0
F4 A:ALF400 2.7 6.5 1.0
O3' A:DUR300 2.7 7.8 1.0
OD1 A:ASP10 2.8 5.1 1.0
OD2 A:ASP10 2.9 5.5 1.0
O A:HOH729 2.9 5.5 1.0
O A:HOH731 3.0 6.5 1.0
O A:ASP12 3.0 5.5 1.0
CB A:ASP12 3.1 5.2 1.0
CG A:ASP10 3.1 4.1 1.0
N A:ASP12 3.3 4.8 1.0
C2' A:DUR300 3.3 9.7 1.0
CA A:ASP12 3.5 5.1 1.0
C3' A:DUR300 3.5 7.8 1.0
F2 A:ALF400 3.5 9.6 1.0
C A:ASP12 3.6 4.9 1.0
OD2 A:ASP12 3.7 7.3 1.0
CG A:ASP12 3.9 6.1 1.0
OD1 A:ASP145 4.1 5.5 1.0
C1' A:DUR300 4.2 9.3 1.0
C A:MET11 4.3 3.9 1.0
O2 A:DUR300 4.4 9.5 1.0
N A:MET11 4.5 4.7 1.0
CB A:ASP10 4.7 4.8 1.0
C4' A:DUR300 4.8 9.6 1.0
N A:GLY13 4.9 4.9 1.0
CA A:MET11 4.9 5.1 1.0

Fluorine binding site 2 out of 8 in 2i7d

Go back to Fluorine Binding Sites List in 2i7d
Fluorine binding site 2 out of 8 in the Structure of Human Cytosolic Deoxyribonucleotidase in Complex with Deoxyuridine, ALF4 and MG2+


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of Human Cytosolic Deoxyribonucleotidase in Complex with Deoxyuridine, ALF4 and MG2+ within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F400

b:9.6
occ:1.00
F2 A:ALF400 0.0 9.6 1.0
AL A:ALF400 1.8 5.7 1.0
F3 A:ALF400 2.4 9.2 1.0
F4 A:ALF400 2.6 6.5 1.0
OD1 A:ASP10 2.6 5.1 1.0
N A:SER100 2.8 7.1 1.0
O3' A:DUR300 2.8 7.8 1.0
NZ A:LYS134 2.8 6.1 1.0
CA A:THR99 3.1 6.2 1.0
OG1 A:THR99 3.2 7.2 1.0
C A:THR99 3.4 6.0 1.0
CE A:LYS134 3.5 6.2 1.0
F1 A:ALF400 3.5 6.9 1.0
CB A:THR99 3.6 6.2 1.0
C3' A:DUR300 3.7 7.8 1.0
CA A:SER100 3.9 7.9 1.0
CG A:ASP10 3.9 4.1 1.0
CB A:SER100 3.9 9.0 1.0
OG A:SER100 3.9 9.7 1.0
O A:CYS98 4.1 5.8 1.0
N A:THR99 4.3 5.5 1.0
O A:SER100 4.3 8.8 1.0
O A:THR99 4.6 7.2 1.0
C A:CYS98 4.6 5.9 1.0
C A:SER100 4.6 7.8 1.0
N A:MET11 4.6 4.7 1.0
OD2 A:ASP10 4.7 5.5 1.0
C2' A:DUR300 4.8 9.7 1.0
O A:HOH760 4.8 10.9 1.0
O A:HOH729 4.8 5.5 1.0
CB A:ASP10 4.8 4.8 1.0
C4' A:DUR300 4.9 9.6 1.0
CA A:ASP10 5.0 4.6 1.0
OD2 A:ASP12 5.0 7.3 1.0

Fluorine binding site 3 out of 8 in 2i7d

Go back to Fluorine Binding Sites List in 2i7d
Fluorine binding site 3 out of 8 in the Structure of Human Cytosolic Deoxyribonucleotidase in Complex with Deoxyuridine, ALF4 and MG2+


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structure of Human Cytosolic Deoxyribonucleotidase in Complex with Deoxyuridine, ALF4 and MG2+ within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F400

b:9.2
occ:1.00
F3 A:ALF400 0.0 9.2 1.0
AL A:ALF400 1.8 5.7 1.0
F1 A:ALF400 2.4 6.9 1.0
F2 A:ALF400 2.4 9.6 1.0
O A:HOH729 2.7 5.5 1.0
O3' A:DUR300 2.8 7.8 1.0
OD1 A:ASP10 2.9 5.1 1.0
C3' A:DUR300 3.1 7.8 1.0
C2' A:DUR300 3.4 9.7 1.0
O A:HOH760 3.5 10.9 1.0
MG A:MG728 3.5 4.9 1.0
NZ A:LYS134 3.6 6.1 1.0
F4 A:ALF400 3.6 6.5 1.0
CG A:ASP10 3.7 4.1 1.0
OD2 A:ASP10 3.9 5.5 1.0
O A:HOH859 4.3 19.6 1.0
OD2 A:ASP144 4.3 6.9 1.0
CE A:LYS134 4.4 6.2 1.0
O A:HOH731 4.4 6.5 1.0
CZ A:PHE44 4.5 10.2 1.0
OD1 A:ASP144 4.5 6.1 1.0
C4' A:DUR300 4.6 9.6 1.0
OG A:SER100 4.7 9.7 1.0
CB A:SER100 4.8 9.0 1.0
N A:SER100 4.8 7.1 1.0
C1' A:DUR300 4.8 9.3 1.0
CG A:ASP144 4.8 5.0 1.0

Fluorine binding site 4 out of 8 in 2i7d

Go back to Fluorine Binding Sites List in 2i7d
Fluorine binding site 4 out of 8 in the Structure of Human Cytosolic Deoxyribonucleotidase in Complex with Deoxyuridine, ALF4 and MG2+


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Structure of Human Cytosolic Deoxyribonucleotidase in Complex with Deoxyuridine, ALF4 and MG2+ within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F400

b:6.5
occ:1.00
F4 A:ALF400 0.0 6.5 1.0
AL A:ALF400 1.8 5.7 1.0
F2 A:ALF400 2.6 9.6 1.0
O3' A:DUR300 2.6 7.8 1.0
OD1 A:ASP10 2.7 5.1 1.0
F1 A:ALF400 2.7 6.9 1.0
OG1 A:THR99 2.7 7.2 1.0
N A:ASP12 2.8 4.8 1.0
N A:MET11 3.0 4.7 1.0
OD2 A:ASP12 3.3 7.3 1.0
CB A:MET11 3.3 6.4 1.0
CA A:MET11 3.4 5.1 1.0
CG A:ASP10 3.5 4.1 1.0
C A:MET11 3.5 3.9 1.0
F3 A:ALF400 3.6 9.2 1.0
CB A:THR99 3.7 6.2 1.0
NZ A:LYS112 3.7 6.5 1.0
CG A:ASP12 3.8 6.1 1.0
CB A:ASP12 3.9 5.2 1.0
CA A:ASP12 3.9 5.1 1.0
OD2 A:ASP10 4.1 5.5 1.0
C3' A:DUR300 4.1 7.8 1.0
C A:ASP10 4.2 4.3 1.0
CA A:THR99 4.2 6.2 1.0
CG A:MET11 4.3 7.4 1.0
MG A:MG728 4.4 4.9 1.0
N A:SER100 4.5 7.1 1.0
CA A:ASP10 4.5 4.6 1.0
O A:ASP12 4.6 5.5 1.0
CB A:ASP10 4.6 4.8 1.0
OD1 A:ASP12 4.7 6.8 1.0
NZ A:LYS134 4.7 6.1 1.0
O A:MET11 4.8 5.1 1.0
C A:ASP12 4.8 4.9 1.0
C2' A:DUR300 4.8 9.7 1.0
CE A:LYS112 4.9 7.0 1.0
C A:THR99 4.9 6.0 1.0
C4' A:DUR300 5.0 9.6 1.0

Fluorine binding site 5 out of 8 in 2i7d

Go back to Fluorine Binding Sites List in 2i7d
Fluorine binding site 5 out of 8 in the Structure of Human Cytosolic Deoxyribonucleotidase in Complex with Deoxyuridine, ALF4 and MG2+


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Structure of Human Cytosolic Deoxyribonucleotidase in Complex with Deoxyuridine, ALF4 and MG2+ within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F401

b:10.1
occ:1.00
F1 B:ALF401 0.0 10.1 1.0
AL B:ALF401 1.8 7.3 1.0
F3 B:ALF401 2.4 10.4 1.0
F4 B:ALF401 2.5 7.8 1.0
O B:HOH730 2.7 7.5 1.0
O3' B:DUR301 2.8 8.8 1.0
OD1 B:ASP10 2.8 7.7 1.0
C3' B:DUR301 3.1 9.8 1.0
C2' B:DUR301 3.3 10.7 1.0
O B:HOH1038 3.6 12.4 1.0
MG B:MG729 3.6 6.8 1.0
F2 B:ALF401 3.6 8.1 1.0
NZ B:LYS134 3.6 7.6 1.0
CG B:ASP10 3.6 6.8 1.0
OD2 B:ASP10 3.8 6.9 1.0
O B:HOH878 4.2 20.3 1.0
OD1 B:ASP144 4.3 8.3 1.0
CE B:LYS134 4.4 6.4 1.0
OD2 B:ASP144 4.5 7.7 1.0
O B:HOH733 4.5 8.7 1.0
C4' B:DUR301 4.6 10.8 1.0
CZ B:PHE44 4.7 12.0 1.0
CB B:SER100 4.7 9.6 1.0
N B:SER100 4.7 7.8 1.0
OG B:SER100 4.7 10.0 1.0
C1' B:DUR301 4.8 10.6 1.0
CG B:ASP144 4.8 7.0 1.0
CB B:ASP10 5.0 6.1 1.0

Fluorine binding site 6 out of 8 in 2i7d

Go back to Fluorine Binding Sites List in 2i7d
Fluorine binding site 6 out of 8 in the Structure of Human Cytosolic Deoxyribonucleotidase in Complex with Deoxyuridine, ALF4 and MG2+


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Structure of Human Cytosolic Deoxyribonucleotidase in Complex with Deoxyuridine, ALF4 and MG2+ within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F401

b:8.1
occ:1.00
F2 B:ALF401 0.0 8.1 1.0
AL B:ALF401 1.8 7.3 1.0
O3' B:DUR301 2.6 8.8 1.0
F3 B:ALF401 2.6 10.4 1.0
OD1 B:ASP10 2.6 7.7 1.0
F4 B:ALF401 2.7 7.8 1.0
OG1 B:THR99 2.8 7.1 1.0
N B:ASP12 2.8 6.3 1.0
N B:MET11 3.0 6.6 1.0
OD2 B:ASP12 3.3 8.5 1.0
CB B:MET11 3.3 7.7 1.0
CA B:MET11 3.4 6.6 1.0
CG B:ASP10 3.5 6.8 1.0
C B:MET11 3.5 5.9 1.0
F1 B:ALF401 3.6 10.1 1.0
NZ B:LYS112 3.7 7.5 1.0
CB B:THR99 3.7 6.6 1.0
CG B:ASP12 3.8 6.9 1.0
CB B:ASP12 3.9 7.1 1.0
CA B:ASP12 3.9 6.5 1.0
OD2 B:ASP10 4.0 6.9 1.0
C3' B:DUR301 4.0 9.8 1.0
C B:ASP10 4.1 6.7 1.0
CA B:THR99 4.2 6.3 1.0
MG B:MG729 4.4 6.8 1.0
CG B:MET11 4.4 8.9 1.0
CA B:ASP10 4.5 6.0 1.0
N B:SER100 4.5 7.8 1.0
CB B:ASP10 4.6 6.1 1.0
O B:ASP12 4.6 8.2 1.0
OD1 B:ASP12 4.7 8.4 1.0
C2' B:DUR301 4.7 10.7 1.0
O B:MET11 4.7 6.7 1.0
C B:ASP12 4.8 6.6 1.0
NZ B:LYS134 4.8 7.6 1.0
CE B:LYS112 4.9 7.7 1.0
C B:THR99 4.9 6.7 1.0
C4' B:DUR301 5.0 10.8 1.0

Fluorine binding site 7 out of 8 in 2i7d

Go back to Fluorine Binding Sites List in 2i7d
Fluorine binding site 7 out of 8 in the Structure of Human Cytosolic Deoxyribonucleotidase in Complex with Deoxyuridine, ALF4 and MG2+


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Structure of Human Cytosolic Deoxyribonucleotidase in Complex with Deoxyuridine, ALF4 and MG2+ within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F401

b:10.4
occ:1.00
F3 B:ALF401 0.0 10.4 1.0
AL B:ALF401 1.8 7.3 1.0
F1 B:ALF401 2.4 10.1 1.0
OD1 B:ASP10 2.6 7.7 1.0
F2 B:ALF401 2.6 8.1 1.0
N B:SER100 2.7 7.8 1.0
O3' B:DUR301 2.8 8.8 1.0
NZ B:LYS134 2.9 7.6 1.0
CA B:THR99 3.1 6.3 1.0
OG1 B:THR99 3.2 7.1 1.0
C B:THR99 3.3 6.7 1.0
CE B:LYS134 3.6 6.4 1.0
F4 B:ALF401 3.6 7.8 1.0
CB B:THR99 3.7 6.6 1.0
C3' B:DUR301 3.7 9.8 1.0
CA B:SER100 3.8 8.7 1.0
CB B:SER100 3.8 9.6 1.0
CG B:ASP10 3.9 6.8 1.0
OG B:SER100 3.9 10.0 1.0
O B:CYS98 4.1 6.7 1.0
O B:SER100 4.2 9.9 1.0
N B:THR99 4.3 6.5 1.0
C B:SER100 4.5 8.6 1.0
O B:THR99 4.6 7.4 1.0
C B:CYS98 4.6 6.3 1.0
OD2 B:ASP10 4.6 6.9 1.0
N B:MET11 4.7 6.6 1.0
C2' B:DUR301 4.7 10.7 1.0
O B:HOH1038 4.8 12.4 1.0
O B:HOH730 4.8 7.5 1.0
CB B:ASP10 4.8 6.1 1.0
C4' B:DUR301 4.8 10.8 1.0
CA B:ASP10 5.0 6.0 1.0

Fluorine binding site 8 out of 8 in 2i7d

Go back to Fluorine Binding Sites List in 2i7d
Fluorine binding site 8 out of 8 in the Structure of Human Cytosolic Deoxyribonucleotidase in Complex with Deoxyuridine, ALF4 and MG2+


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Structure of Human Cytosolic Deoxyribonucleotidase in Complex with Deoxyuridine, ALF4 and MG2+ within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F401

b:7.8
occ:1.00
F4 B:ALF401 0.0 7.8 1.0
AL B:ALF401 1.8 7.3 1.0
MG B:MG729 2.0 6.8 1.0
F1 B:ALF401 2.5 10.1 1.0
F2 B:ALF401 2.7 8.1 1.0
O3' B:DUR301 2.7 8.8 1.0
OD1 B:ASP10 2.8 7.7 1.0
OD2 B:ASP10 2.8 6.9 1.0
O B:HOH730 3.0 7.5 1.0
O B:ASP12 3.0 8.2 1.0
O B:HOH733 3.0 8.7 1.0
CG B:ASP10 3.1 6.8 1.0
CB B:ASP12 3.1 7.1 1.0
N B:ASP12 3.2 6.3 1.0
C2' B:DUR301 3.3 10.7 1.0
CA B:ASP12 3.4 6.5 1.0
C3' B:DUR301 3.5 9.8 1.0
F3 B:ALF401 3.6 10.4 1.0
C B:ASP12 3.6 6.6 1.0
OD2 B:ASP12 3.8 8.5 1.0
CG B:ASP12 3.9 6.9 1.0
OD1 B:ASP145 4.0 7.2 1.0
C1' B:DUR301 4.2 10.6 1.0
C B:MET11 4.3 5.9 1.0
O2 B:DUR301 4.4 10.2 1.0
N B:MET11 4.5 6.6 1.0
CB B:ASP10 4.6 6.1 1.0
C4' B:DUR301 4.8 10.8 1.0
CA B:MET11 4.9 6.6 1.0
N B:GLY13 4.9 7.0 1.0

Reference:

K.Wallden, A.Rinaldo-Matthis, B.Ruzzenente, C.Rampazzo, V.Bianchi, P.Nordlund. Structures of Human and Murine Cytosolic Deoxyribonucleotidase: Insights Into Substrate Specificity and Catalysis To Be Published.
Page generated: Mon Jul 14 13:26:40 2025

Last articles

Mg in 6HNQ
Mg in 6HOS
Mg in 6HNS
Mg in 6HN2
Mg in 6HMZ
Mg in 6HMU
Mg in 6HMT
Mg in 6HLR
Mg in 6HLQ
Mg in 6HKY
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy