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Fluorine in PDB 7otj: Crystal Structure of PIF1 Helicase From Candida Albicans

Enzymatic activity of Crystal Structure of PIF1 Helicase From Candida Albicans

All present enzymatic activity of Crystal Structure of PIF1 Helicase From Candida Albicans:
3.6.4.12;

Protein crystallography data

The structure of Crystal Structure of PIF1 Helicase From Candida Albicans, PDB code: 7otj was solved by S.Rety, X.G.Xi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 82.51 / 2.58
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 198.973, 79.96, 94.11, 90, 117.28, 90
R / Rfree (%) 20.6 / 24.2

Other elements in 7otj:

The structure of Crystal Structure of PIF1 Helicase From Candida Albicans also contains other interesting chemical elements:

Aluminium (Al) 2 atoms
Potassium (K) 10 atoms
Magnesium (Mg) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of PIF1 Helicase From Candida Albicans (pdb code 7otj). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 8 binding sites of Fluorine where determined in the Crystal Structure of PIF1 Helicase From Candida Albicans, PDB code: 7otj:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Fluorine binding site 1 out of 8 in 7otj

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Fluorine binding site 1 out of 8 in the Crystal Structure of PIF1 Helicase From Candida Albicans


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of PIF1 Helicase From Candida Albicans within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1002

b:46.4
occ:1.00
 F1 A:ALF1002 0.0 46.4 1.0
AL A:ALF1002 1.8 47.5 1.0
MG A:MG1003 2.0 38.4 1.0
F3 A:ALF1002 2.5 39.7 1.0
O A:HOH1148 2.5 46.1 1.0
F4 A:ALF1002 2.6 43.2 1.0
O A:HOH1106 2.7 42.5 1.0
OE1 A:GLU473 2.8 43.6 1.0
O A:HOH1134 2.8 40.0 1.0
O A:HOH1125 2.8 37.8 1.0
O2B A:ADP1001 3.0 49.0 1.0
O3B A:ADP1001 3.1 46.8 1.0
O A:HOH1123 3.2 37.2 1.0
PB A:ADP1001 3.5 50.8 1.0
F2 A:ALF1002 3.6 48.5 1.0
CA A:GLY822 3.7 39.6 1.0
CD A:GLU473 3.8 45.4 1.0
N A:GLY822 4.2 49.8 1.0
O1B A:ADP1001 4.2 37.2 1.0
OE2 A:GLU473 4.3 42.5 1.0
OG A:SER397 4.3 36.5 1.0
C A:GLY822 4.6 41.6 1.0
O A:GLY822 4.6 46.3 1.0
CE A:LYS396 4.7 53.6 1.0
OE1 A:GLN512 4.7 38.5 1.0
NH1 A:ARG847 4.8 43.0 1.0
NZ A:LYS396 4.8 36.2 1.0
O2A A:ADP1001 4.8 40.2 1.0
NE2 A:GLN512 4.8 36.2 1.0
O3A A:ADP1001 4.9 41.1 1.0
NH2 A:ARG556 4.9 46.1 1.0
CG A:GLU473 4.9 48.7 1.0

Fluorine binding site 2 out of 8 in 7otj

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Fluorine binding site 2 out of 8 in the Crystal Structure of PIF1 Helicase From Candida Albicans


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of PIF1 Helicase From Candida Albicans within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1002

b:48.5
occ:1.00
 F2 A:ALF1002 0.0 48.5 1.0
AL A:ALF1002 1.8 47.5 1.0
F4 A:ALF1002 2.5 43.2 1.0
F3 A:ALF1002 2.6 39.7 1.0
O3B A:ADP1001 2.6 46.8 1.0
NH1 A:ARG556 2.7 44.0 1.0
NH2 A:ARG847 2.8 51.5 1.0
N A:GLY393 2.9 41.8 1.0
CA A:ALA392 3.1 44.0 1.0
CB A:ALA392 3.1 38.5 1.0
O A:HOH1106 3.3 42.5 1.0
NH2 A:ARG556 3.3 46.1 1.0
C A:ALA392 3.4 43.2 1.0
NH1 A:ARG847 3.4 43.0 1.0
CZ A:ARG556 3.4 44.2 1.0
CZ A:ARG847 3.5 42.7 1.0
F1 A:ALF1002 3.6 46.4 1.0
NE2 A:GLN512 3.8 36.2 1.0
CA A:GLY393 3.9 41.4 1.0
PB A:ADP1001 4.0 50.8 1.0
N A:ALA392 4.4 49.2 1.0
O A:ALA392 4.5 51.6 1.0
OE1 A:GLN512 4.5 38.5 1.0
O1B A:ADP1001 4.6 37.2 1.0
CD A:GLN512 4.6 42.6 1.0
NE A:ARG556 4.7 41.8 1.0
NE A:ARG847 4.7 48.3 1.0
O A:HOH1148 4.8 46.1 1.0
O2B A:ADP1001 4.8 49.0 1.0
O A:SER391 4.9 49.9 1.0
O3A A:ADP1001 4.9 41.1 1.0

Fluorine binding site 3 out of 8 in 7otj

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Fluorine binding site 3 out of 8 in the Crystal Structure of PIF1 Helicase From Candida Albicans


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of PIF1 Helicase From Candida Albicans within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1002

b:39.7
occ:1.00
 F3 A:ALF1002 0.0 39.7 1.0
AL A:ALF1002 1.8 47.5 1.0
F1 A:ALF1002 2.5 46.4 1.0
F2 A:ALF1002 2.6 48.5 1.0
O A:HOH1148 2.6 46.1 1.0
O3B A:ADP1001 2.9 46.8 1.0
NZ A:LYS396 3.0 36.2 1.0
O A:HOH1106 3.0 42.5 1.0
NE2 A:GLN512 3.0 36.2 1.0
PB A:ADP1001 3.4 50.8 1.0
O1B A:ADP1001 3.5 37.2 1.0
CE A:LYS396 3.6 53.6 1.0
F4 A:ALF1002 3.6 43.2 1.0
CA A:ALA392 3.6 44.0 1.0
N A:GLY393 3.8 41.8 1.0
CD A:GLN512 3.9 42.6 1.0
O2B A:ADP1001 3.9 49.0 1.0
OE1 A:GLN512 4.0 38.5 1.0
MG A:MG1003 4.0 38.4 1.0
O A:HOH1134 4.0 40.0 1.0
O A:SER391 4.1 49.9 1.0
C A:ALA392 4.3 43.2 1.0
CB A:ALA392 4.3 38.5 1.0
N A:ALA392 4.4 49.2 1.0
C A:SER391 4.6 44.9 1.0
OE1 A:GLU473 4.6 43.6 1.0
NH2 A:ARG847 4.6 51.5 1.0
CB A:ASP509 4.9 37.9 1.0
O A:GLY390 4.9 45.9 1.0
O3A A:ADP1001 4.9 41.1 1.0

Fluorine binding site 4 out of 8 in 7otj

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Fluorine binding site 4 out of 8 in the Crystal Structure of PIF1 Helicase From Candida Albicans


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structure of PIF1 Helicase From Candida Albicans within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1002

b:43.2
occ:1.00
 F4 A:ALF1002 0.0 43.2 1.0
AL A:ALF1002 1.8 47.5 1.0
F2 A:ALF1002 2.5 48.5 1.0
F1 A:ALF1002 2.6 46.4 1.0
NH1 A:ARG847 2.6 43.0 1.0
NH2 A:ARG556 2.7 46.1 1.0
O3B A:ADP1001 2.8 46.8 1.0
CA A:GLY822 3.1 39.6 1.0
O A:HOH1106 3.1 42.5 1.0
C A:GLY822 3.3 41.6 1.0
O A:HOH1123 3.3 37.2 1.0
O A:GLY822 3.4 46.3 1.0
N A:GLY822 3.5 49.8 1.0
F3 A:ALF1002 3.6 39.7 1.0
CZ A:ARG847 3.6 42.7 1.0
CZ A:ARG556 3.6 44.2 1.0
NH2 A:ARG847 3.7 51.5 1.0
NH1 A:ARG556 3.7 44.0 1.0
MG A:MG1003 3.8 38.4 1.0
PB A:ADP1001 4.0 50.8 1.0
O2A A:ADP1001 4.0 40.2 1.0
N A:GLN823 4.0 43.2 1.0
O2B A:ADP1001 4.1 49.0 1.0
O A:GLN823 4.1 43.8 1.0
O A:HOH1125 4.2 37.8 1.0
OE1 A:GLU473 4.3 43.6 1.0
O A:HOH1121 4.6 48.2 1.0
C A:GLN823 4.7 48.6 1.0
N A:GLY393 4.7 41.8 1.0
C A:GLN821 4.8 47.6 1.0
O3A A:ADP1001 4.8 41.1 1.0
O A:HOH1148 4.8 46.1 1.0
NE A:ARG556 4.8 41.8 1.0
NE A:ARG847 4.8 48.3 1.0
CA A:GLN823 4.9 48.8 1.0

Fluorine binding site 5 out of 8 in 7otj

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Fluorine binding site 5 out of 8 in the Crystal Structure of PIF1 Helicase From Candida Albicans


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Crystal Structure of PIF1 Helicase From Candida Albicans within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1002

b:47.0
occ:1.00
 F1 B:ALF1002 0.0 47.0 1.0
AL B:ALF1002 1.8 37.2 1.0
MG B:MG1003 1.9 37.2 1.0
O B:HOH1115 2.5 37.2 1.0
F3 B:ALF1002 2.5 45.2 1.0
F4 B:ALF1002 2.5 37.2 1.0
O B:HOH1132 2.7 42.3 1.0
OE2 B:GLU473 2.7 44.8 1.0
O B:HOH1104 2.8 44.8 1.0
O1B B:ADP1001 2.9 44.1 1.0
O3B B:ADP1001 3.0 46.9 1.0
O B:HOH1108 3.1 40.5 1.0
O B:HOH1110 3.2 37.2 1.0
PB B:ADP1001 3.4 51.8 1.0
F2 B:ALF1002 3.6 50.2 1.0
CD B:GLU473 3.7 45.2 1.0
CA B:GLY822 3.7 37.1 1.0
OG B:SER397 4.1 47.3 1.0
OE1 B:GLU473 4.2 42.4 1.0
N B:GLY822 4.3 42.9 1.0
O2B B:ADP1001 4.3 40.8 1.0
NZ B:LYS396 4.4 41.9 1.0
CE B:LYS396 4.5 50.3 1.0
O B:GLY822 4.6 38.1 1.0
C B:GLY822 4.6 41.5 1.0
O2A B:ADP1001 4.6 49.8 1.0
O3A B:ADP1001 4.8 43.6 1.0
NH2 B:ARG556 4.8 39.8 1.0
CG B:GLU473 4.8 50.7 1.0
NH1 B:ARG847 4.9 38.3 1.0
OD1 B:ASP472 5.0 40.9 1.0

Fluorine binding site 6 out of 8 in 7otj

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Fluorine binding site 6 out of 8 in the Crystal Structure of PIF1 Helicase From Candida Albicans


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Crystal Structure of PIF1 Helicase From Candida Albicans within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1002

b:50.2
occ:1.00
 F2 B:ALF1002 0.0 50.2 1.0
AL B:ALF1002 1.8 37.2 1.0
F4 B:ALF1002 2.5 37.2 1.0
F3 B:ALF1002 2.5 45.2 1.0
O3B B:ADP1001 2.6 46.9 1.0
NH2 B:ARG847 2.7 39.9 1.0
NH1 B:ARG556 3.0 47.8 1.0
O B:HOH1104 3.0 44.8 1.0
CB B:ALA392 3.2 39.8 1.0
CA B:ALA392 3.2 44.2 1.0
N B:GLY393 3.2 39.1 1.0
NH1 B:ARG847 3.3 38.3 1.0
NH2 B:ARG556 3.3 39.8 1.0
CZ B:ARG847 3.4 39.1 1.0
F1 B:ALF1002 3.6 47.0 1.0
CZ B:ARG556 3.6 45.3 1.0
NE2 B:GLN512 3.6 38.0 1.0
C B:ALA392 3.6 43.3 1.0
PB B:ADP1001 4.0 51.8 1.0
CA B:GLY393 4.3 39.8 1.0
OE1 B:GLN512 4.4 40.2 1.0
CD B:GLN512 4.4 40.2 1.0
N B:ALA392 4.5 50.1 1.0
O2B B:ADP1001 4.7 40.8 1.0
NZ B:LYS396 4.7 41.9 1.0
NE B:ARG847 4.7 49.0 1.0
O B:ALA392 4.8 53.1 1.0
NE B:ARG556 4.8 41.7 1.0
O1B B:ADP1001 4.8 44.1 1.0
O3A B:ADP1001 5.0 43.6 1.0

Fluorine binding site 7 out of 8 in 7otj

Go back to Fluorine Binding Sites List in 7otj
Fluorine binding site 7 out of 8 in the Crystal Structure of PIF1 Helicase From Candida Albicans


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Crystal Structure of PIF1 Helicase From Candida Albicans within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1002

b:45.2
occ:1.00
 F3 B:ALF1002 0.0 45.2 1.0
AL B:ALF1002 1.8 37.2 1.0
F1 B:ALF1002 2.5 47.0 1.0
F2 B:ALF1002 2.5 50.2 1.0
O B:HOH1104 2.7 44.8 1.0
NZ B:LYS396 2.8 41.9 1.0
O B:HOH1108 2.9 40.5 1.0
O3B B:ADP1001 2.9 46.9 1.0
NE2 B:GLN512 3.0 38.0 1.0
CE B:LYS396 3.5 50.3 1.0
F4 B:ALF1002 3.6 37.2 1.0
PB B:ADP1001 3.6 51.8 1.0
O2B B:ADP1001 3.8 40.8 1.0
CD B:GLN512 3.8 40.2 1.0
CA B:ALA392 3.8 44.2 1.0
O B:HOH1132 3.9 42.3 1.0
OE1 B:GLN512 3.9 40.2 1.0
O1B B:ADP1001 4.0 44.1 1.0
MG B:MG1003 4.0 37.2 1.0
OE2 B:GLU473 4.2 44.8 1.0
N B:GLY393 4.3 39.1 1.0
CB B:ALA392 4.5 39.8 1.0
O B:SER391 4.5 45.6 1.0
N B:ALA392 4.6 50.1 1.0
C B:ALA392 4.6 43.3 1.0
OE1 B:GLU473 4.6 42.4 1.0
NH2 B:ARG847 4.7 39.9 1.0
C B:SER391 4.8 45.6 1.0
CD B:GLU473 4.8 45.2 1.0
CB B:ASP509 4.8 38.1 1.0
O B:HOH1115 4.9 37.2 1.0
CD B:LYS396 4.9 37.7 1.0

Fluorine binding site 8 out of 8 in 7otj

Go back to Fluorine Binding Sites List in 7otj
Fluorine binding site 8 out of 8 in the Crystal Structure of PIF1 Helicase From Candida Albicans


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Crystal Structure of PIF1 Helicase From Candida Albicans within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1002

b:37.2
occ:1.00
 F4 B:ALF1002 0.0 37.2 1.0
AL B:ALF1002 1.8 37.2 1.0
F2 B:ALF1002 2.5 50.2 1.0
F1 B:ALF1002 2.5 47.0 1.0
NH2 B:ARG556 2.7 39.8 1.0
O3B B:ADP1001 2.7 46.9 1.0
NH1 B:ARG847 2.8 38.3 1.0
CA B:GLY822 3.0 37.1 1.0
O B:HOH1104 3.2 44.8 1.0
O B:GLY822 3.2 38.1 1.0
C B:GLY822 3.2 41.5 1.0
O B:HOH1110 3.3 37.2 1.0
N B:GLY822 3.5 42.9 1.0
F3 B:ALF1002 3.6 45.2 1.0
CZ B:ARG556 3.6 45.3 1.0
NH1 B:ARG556 3.6 47.8 1.0
MG B:MG1003 3.7 37.2 1.0
O2A B:ADP1001 3.8 49.8 1.0
PB B:ADP1001 3.8 51.8 1.0
CZ B:ARG847 3.8 39.1 1.0
O1B B:ADP1001 3.9 44.1 1.0
NH2 B:ARG847 4.0 39.9 1.0
N B:GLN823 4.0 36.2 1.0
O B:HOH1115 4.0 37.2 1.0
OE2 B:GLU473 4.2 44.8 1.0
O B:GLN823 4.2 39.6 1.0
O3A B:ADP1001 4.6 43.6 1.0
C B:GLN823 4.7 42.6 1.0
C B:GLN821 4.8 45.5 1.0
NE B:ARG556 4.8 41.7 1.0
N B:GLY393 4.8 39.1 1.0
PA B:ADP1001 4.9 37.3 1.0
CA B:GLN823 4.9 37.5 1.0

Reference:

K.Y.Lu, B.G.Xin, T.Zhang, N.N.Liu, D.Li, S.Rety, X.G.Xi. Structural Study of the Function of Candida Albicans PIF1. Biochem.Biophys.Res.Commun. V. 567 190 2021.
ISSN: ESSN 1090-2104
PubMed: 34166917
DOI: 10.1016/J.BBRC.2021.06.050
Page generated: Fri Aug 2 10:52:20 2024

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