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Fluorine in PDB 7bwv: Crystal Structure of S. Thermophilus Nfeob E67A Bound to Gdp.ALF4-

Protein crystallography data

The structure of Crystal Structure of S. Thermophilus Nfeob E67A Bound to Gdp.ALF4-, PDB code: 7bwv was solved by S.Batra, B.Prakash, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.63 / 2.35
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 48.699, 73.614, 156.754, 90, 90, 90
R / Rfree (%) 19.3 / 23.2

Other elements in 7bwv:

The structure of Crystal Structure of S. Thermophilus Nfeob E67A Bound to Gdp.ALF4- also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms
Aluminium (Al) 2 atoms
Potassium (K) 2 atoms
Magnesium (Mg) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of S. Thermophilus Nfeob E67A Bound to Gdp.ALF4- (pdb code 7bwv). 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 S. Thermophilus Nfeob E67A Bound to Gdp.ALF4-, PDB code: 7bwv:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Fluorine binding site 1 out of 8 in 7bwv

Go back to Fluorine Binding Sites List in 7bwv
Fluorine binding site 1 out of 8 in the Crystal Structure of S. Thermophilus Nfeob E67A Bound to Gdp.ALF4-


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 S. Thermophilus Nfeob E67A Bound to Gdp.ALF4- within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F302

b:33.5
occ:1.00
 F1 A:ALF302 0.0 33.5 1.0
AL A:ALF302 1.6 37.7 1.0
MG A:MG303 1.9 30.0 1.0
F4 A:ALF302 2.3 41.9 1.0
F3 A:ALF302 2.3 33.1 1.0
O3B A:GDP301 2.7 32.3 1.0
O2B A:GDP301 2.7 31.7 1.0
O A:HOH425 3.0 31.2 1.0
O A:HOH439 3.0 28.1 1.0
PB A:GDP301 3.1 31.3 1.0
OG1 A:THR35 3.1 30.4 1.0
CB A:THR35 3.2 29.2 1.0
O A:HOH433 3.2 28.5 1.0
F2 A:ALF302 3.3 39.6 1.0
N A:THR35 3.5 37.0 1.0
CA A:THR35 4.0 31.3 1.0
OG1 A:THR15 4.1 28.6 1.0
O1B A:GDP301 4.1 32.1 1.0
NZ A:LYS14 4.2 29.0 1.0
K A:K304 4.2 35.6 1.0
O A:THR35 4.4 28.0 1.0
O3A A:GDP301 4.4 42.1 1.0
N A:GLY56 4.4 29.4 1.0
N A:VAL34 4.5 33.6 1.0
CG2 A:THR35 4.5 20.9 1.0
CE A:LYS14 4.5 31.3 1.0
C A:VAL34 4.6 35.8 1.0
O A:LEU54 4.7 26.1 1.0
C A:THR35 4.7 31.9 1.0
CB A:VAL34 4.8 35.5 1.0
CA A:PRO55 4.8 27.1 1.0
CA A:VAL34 4.9 40.2 1.0
O2A A:GDP301 4.9 29.1 1.0
O A:HOH465 5.0 30.5 1.0

Fluorine binding site 2 out of 8 in 7bwv

Go back to Fluorine Binding Sites List in 7bwv
Fluorine binding site 2 out of 8 in the Crystal Structure of S. Thermophilus Nfeob E67A Bound to Gdp.ALF4-


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 S. Thermophilus Nfeob E67A Bound to Gdp.ALF4- within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F302

b:39.6
occ:1.00
 F2 A:ALF302 0.0 39.6 1.0
AL A:ALF302 1.6 37.7 1.0
F4 A:ALF302 2.3 41.9 1.0
F3 A:ALF302 2.3 33.1 1.0
O A:HOH439 2.7 28.1 1.0
N A:GLY33 2.8 30.1 1.0
O3B A:GDP301 2.9 32.3 1.0
N A:ASN11 3.1 38.1 1.0
F1 A:ALF302 3.3 33.5 1.0
CB A:PRO10 3.3 28.3 1.0
CA A:PRO10 3.3 34.5 1.0
O A:HOH465 3.4 30.5 1.0
CA A:PRO32 3.4 38.1 1.0
C A:PRO32 3.6 31.4 1.0
C A:PRO10 3.6 32.5 1.0
K A:K304 3.7 35.6 1.0
CA A:GLY33 3.8 31.3 1.0
CA A:ASN11 4.0 41.1 1.0
CB A:PRO32 4.1 35.1 1.0
N A:VAL34 4.1 33.6 1.0
PB A:GDP301 4.3 31.3 1.0
O A:TRP31 4.3 38.7 1.0
CG A:PRO10 4.5 33.7 1.0
C A:GLY33 4.5 33.9 1.0
CB A:ASN11 4.6 40.3 1.0
N A:PRO32 4.6 43.5 1.0
O A:HOH469 4.6 35.7 1.0
N A:GLY56 4.7 29.4 1.0
N A:PRO10 4.7 35.9 1.0
NZ A:LYS14 4.8 29.0 1.0
O A:PRO10 4.8 32.7 1.0
O A:PRO32 4.8 38.4 1.0
OD1 A:ASN11 4.8 44.5 1.0
CA A:GLY56 4.8 33.1 1.0
C A:TRP31 4.9 42.8 1.0
O1B A:GDP301 5.0 32.1 1.0

Fluorine binding site 3 out of 8 in 7bwv

Go back to Fluorine Binding Sites List in 7bwv
Fluorine binding site 3 out of 8 in the Crystal Structure of S. Thermophilus Nfeob E67A Bound to Gdp.ALF4-


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 S. Thermophilus Nfeob E67A Bound to Gdp.ALF4- within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F302

b:33.1
occ:1.00
 F3 A:ALF302 0.0 33.1 1.0
AL A:ALF302 1.6 37.7 1.0
F1 A:ALF302 2.3 33.5 1.0
F2 A:ALF302 2.3 39.6 1.0
NZ A:LYS14 2.7 29.0 1.0
O3B A:GDP301 2.8 32.3 1.0
O A:HOH439 2.9 28.1 1.0
N A:GLY56 3.1 29.4 1.0
F4 A:ALF302 3.3 41.9 1.0
CA A:GLY56 3.3 33.1 1.0
CA A:PRO10 3.4 34.5 1.0
PB A:GDP301 3.4 31.3 1.0
N A:ASN11 3.6 38.1 1.0
CE A:LYS14 3.6 31.3 1.0
O A:HOH465 3.6 30.5 1.0
O1B A:GDP301 3.7 32.1 1.0
O2B A:GDP301 3.9 31.7 1.0
O A:HOH425 4.0 31.2 1.0
MG A:MG303 4.0 30.0 1.0
C A:PRO10 4.0 32.5 1.0
CB A:PRO10 4.1 28.3 1.0
C A:PRO55 4.1 25.3 1.0
O A:ASN9 4.3 28.8 1.0
N A:PRO10 4.4 35.9 1.0
CA A:PRO55 4.6 27.1 1.0
C A:ASN9 4.7 33.1 1.0
O A:LEU54 4.7 26.1 1.0
C A:GLY56 4.8 28.0 1.0
CA A:ASN11 4.8 41.1 1.0
CG A:PRO10 4.8 33.7 1.0
N A:GLY33 4.9 30.1 1.0
O3A A:GDP301 4.9 42.1 1.0
K A:K304 4.9 35.6 1.0

Fluorine binding site 4 out of 8 in 7bwv

Go back to Fluorine Binding Sites List in 7bwv
Fluorine binding site 4 out of 8 in the Crystal Structure of S. Thermophilus Nfeob E67A Bound to Gdp.ALF4-


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 S. Thermophilus Nfeob E67A Bound to Gdp.ALF4- within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F302

b:41.9
occ:1.00
 F4 A:ALF302 0.0 41.9 1.0
AL A:ALF302 1.6 37.7 1.0
F1 A:ALF302 2.3 33.5 1.0
F2 A:ALF302 2.3 39.6 1.0
N A:VAL34 2.7 33.6 1.0
K A:K304 2.7 35.6 1.0
O A:HOH439 2.9 28.1 1.0
O3B A:GDP301 2.9 32.3 1.0
F3 A:ALF302 3.3 33.1 1.0
CB A:VAL34 3.3 35.5 1.0
N A:GLY33 3.3 30.1 1.0
N A:THR35 3.3 37.0 1.0
CA A:VAL34 3.4 40.2 1.0
O A:HOH433 3.6 28.5 1.0
C A:GLY33 3.6 33.9 1.0
MG A:MG303 3.7 30.0 1.0
CG2 A:VAL34 3.8 24.5 1.0
CA A:GLY33 3.9 31.3 1.0
C A:VAL34 3.9 35.8 1.0
O A:TRP31 4.0 38.7 1.0
PB A:GDP301 4.0 31.3 1.0
O2B A:GDP301 4.2 31.7 1.0
C A:PRO32 4.2 31.4 1.0
OG1 A:THR35 4.4 30.4 1.0
CA A:PRO32 4.5 38.1 1.0
CA A:THR35 4.5 31.3 1.0
CB A:THR35 4.5 29.2 1.0
CG1 A:VAL34 4.6 28.8 1.0
O2A A:GDP301 4.6 29.1 1.0
N A:ASN11 4.7 38.1 1.0
O3A A:GDP301 4.7 42.1 1.0
O A:GLY33 4.8 32.5 1.0
O A:THR35 4.8 28.0 1.0
O A:HOH465 4.8 30.5 1.0

Fluorine binding site 5 out of 8 in 7bwv

Go back to Fluorine Binding Sites List in 7bwv
Fluorine binding site 5 out of 8 in the Crystal Structure of S. Thermophilus Nfeob E67A Bound to Gdp.ALF4-


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 S. Thermophilus Nfeob E67A Bound to Gdp.ALF4- within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F302

b:32.3
occ:1.00
 F1 B:ALF302 0.0 32.3 1.0
AL B:ALF302 1.6 31.9 1.0
F4 B:ALF302 2.3 33.1 1.0
F3 B:ALF302 2.3 33.9 1.0
O B:HOH456 2.7 26.8 1.0
O1B B:GDP301 2.7 28.9 1.0
N B:GLY33 2.9 28.7 1.0
N B:ASN11 3.1 26.1 1.0
F2 B:ALF302 3.3 31.6 1.0
O B:HOH479 3.4 29.8 1.0
CA B:PRO10 3.4 30.4 1.0
CB B:PRO10 3.4 25.8 1.0
CA B:PRO32 3.4 28.2 1.0
K B:K304 3.6 32.7 1.0
C B:PRO32 3.7 34.7 1.0
C B:PRO10 3.7 31.7 1.0
CA B:GLY33 3.9 28.1 1.0
CA B:ASN11 4.0 27.4 1.0
N B:VAL34 4.1 29.8 1.0
PB B:GDP301 4.1 27.6 1.0
CB B:PRO32 4.1 29.8 1.0
O B:TRP31 4.3 30.3 1.0
C B:GLY33 4.5 33.6 1.0
CB B:ASN11 4.6 28.7 1.0
CG B:PRO10 4.6 33.2 1.0
N B:PRO32 4.6 32.8 1.0
N B:GLY56 4.7 31.6 1.0
OD1 B:ASN11 4.8 35.3 1.0
O3B B:GDP301 4.8 28.0 1.0
NZ B:LYS14 4.8 28.4 1.0
N B:PRO10 4.8 35.2 1.0
O B:PRO10 4.9 28.1 1.0
O B:PRO32 4.9 35.6 1.0
CA B:GLY56 4.9 31.7 1.0
O2B B:GDP301 4.9 36.0 1.0
C B:TRP31 4.9 33.7 1.0
CG B:ASN11 5.0 31.5 1.0

Fluorine binding site 6 out of 8 in 7bwv

Go back to Fluorine Binding Sites List in 7bwv
Fluorine binding site 6 out of 8 in the Crystal Structure of S. Thermophilus Nfeob E67A Bound to Gdp.ALF4-


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 S. Thermophilus Nfeob E67A Bound to Gdp.ALF4- within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F302

b:31.6
occ:1.00
 F2 B:ALF302 0.0 31.6 1.0
AL B:ALF302 1.6 31.9 1.0
MG B:MG303 2.0 27.8 1.0
F3 B:ALF302 2.3 33.9 1.0
F4 B:ALF302 2.3 33.1 1.0
O3B B:GDP301 2.6 28.0 1.0
O1B B:GDP301 2.8 28.9 1.0
O B:HOH456 2.9 26.8 1.0
O B:HOH426 3.0 26.4 1.0
OG1 B:THR35 3.0 28.5 1.0
PB B:GDP301 3.1 27.6 1.0
CB B:THR35 3.1 25.9 1.0
O B:HOH404 3.2 24.0 1.0
F1 B:ALF302 3.3 32.3 1.0
N B:THR35 3.5 31.9 1.0
CA B:THR35 3.9 32.3 1.0
OG1 B:THR15 4.1 23.0 1.0
NZ B:LYS14 4.2 28.4 1.0
O2B B:GDP301 4.2 36.0 1.0
CE B:LYS14 4.3 27.8 1.0
O B:THR35 4.3 33.1 1.0
N B:GLY56 4.3 31.6 1.0
CG2 B:THR35 4.4 22.3 1.0
K B:K304 4.4 32.7 1.0
O B:LEU54 4.5 26.3 1.0
O3A B:GDP301 4.6 31.1 1.0
N B:VAL34 4.6 29.8 1.0
C B:THR35 4.6 30.3 1.0
C B:VAL34 4.7 33.2 1.0
O1A B:GDP301 4.7 28.3 1.0
CA B:PRO55 4.7 31.1 1.0
CB B:VAL34 4.9 30.5 1.0
C B:PRO55 4.9 29.4 1.0
O B:HOH479 4.9 29.8 1.0
CA B:VAL34 5.0 32.3 1.0

Fluorine binding site 7 out of 8 in 7bwv

Go back to Fluorine Binding Sites List in 7bwv
Fluorine binding site 7 out of 8 in the Crystal Structure of S. Thermophilus Nfeob E67A Bound to Gdp.ALF4-


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 S. Thermophilus Nfeob E67A Bound to Gdp.ALF4- within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F302

b:33.9
occ:1.00
 F3 B:ALF302 0.0 33.9 1.0
AL B:ALF302 1.6 31.9 1.0
F1 B:ALF302 2.3 32.3 1.0
F2 B:ALF302 2.3 31.6 1.0
K B:K304 2.7 32.7 1.0
O1B B:GDP301 2.8 28.9 1.0
N B:VAL34 2.8 29.8 1.0
O B:HOH456 2.8 26.8 1.0
F4 B:ALF302 3.3 33.1 1.0
N B:THR35 3.3 31.9 1.0
CB B:VAL34 3.3 30.5 1.0
O B:HOH404 3.4 24.0 1.0
CA B:VAL34 3.5 32.3 1.0
N B:GLY33 3.5 28.7 1.0
MG B:MG303 3.6 27.8 1.0
C B:GLY33 3.8 33.6 1.0
PB B:GDP301 3.9 27.6 1.0
C B:VAL34 3.9 33.2 1.0
CG2 B:VAL34 3.9 24.3 1.0
O3B B:GDP301 3.9 28.0 1.0
CA B:GLY33 4.0 28.1 1.0
O B:TRP31 4.1 30.3 1.0
O1A B:GDP301 4.3 28.3 1.0
OG1 B:THR35 4.3 28.5 1.0
C B:PRO32 4.4 34.7 1.0
CA B:THR35 4.4 32.3 1.0
CB B:THR35 4.4 25.9 1.0
CA B:PRO32 4.6 28.2 1.0
CG1 B:VAL34 4.6 25.7 1.0
N B:ASN11 4.7 26.1 1.0
O3A B:GDP301 4.8 31.1 1.0
O B:THR35 4.8 33.1 1.0
O B:HOH479 4.8 29.8 1.0
O B:GLY33 4.9 28.1 1.0

Fluorine binding site 8 out of 8 in 7bwv

Go back to Fluorine Binding Sites List in 7bwv
Fluorine binding site 8 out of 8 in the Crystal Structure of S. Thermophilus Nfeob E67A Bound to Gdp.ALF4-


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 S. Thermophilus Nfeob E67A Bound to Gdp.ALF4- within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F302

b:33.1
occ:1.00
 F4 B:ALF302 0.0 33.1 1.0
AL B:ALF302 1.6 31.9 1.0
F1 B:ALF302 2.3 32.3 1.0
F2 B:ALF302 2.3 31.6 1.0
O B:HOH456 2.7 26.8 1.0
O1B B:GDP301 2.8 28.9 1.0
NZ B:LYS14 2.9 28.4 1.0
N B:GLY56 3.0 31.6 1.0
CA B:GLY56 3.3 31.7 1.0
F3 B:ALF302 3.3 33.9 1.0
CA B:PRO10 3.4 30.4 1.0
O B:HOH479 3.5 29.8 1.0
PB B:GDP301 3.5 27.6 1.0
CE B:LYS14 3.5 27.8 1.0
N B:ASN11 3.6 26.1 1.0
O3B B:GDP301 3.8 28.0 1.0
O2B B:GDP301 3.9 36.0 1.0
CB B:PRO10 4.0 25.8 1.0
C B:PRO10 4.1 31.7 1.0
C B:PRO55 4.1 29.4 1.0
MG B:MG303 4.1 27.8 1.0
O B:HOH426 4.3 26.4 1.0
O B:ASN9 4.3 29.0 1.0
N B:PRO10 4.4 35.2 1.0
CA B:PRO55 4.6 31.1 1.0
CG B:PRO10 4.7 33.2 1.0
C B:GLY56 4.7 31.2 1.0
C B:ASN9 4.7 33.4 1.0
O B:LEU54 4.7 26.3 1.0
CA B:ASN11 4.8 27.4 1.0
N B:GLY33 4.9 28.7 1.0
O B:PRO55 5.0 27.6 1.0
CB B:THR35 5.0 25.9 1.0

Reference:

S.Batra, B.Prakash. Crystal Structure of S. Thermophilus Nfeob E67A Bound to Gdp.ALF4- To Be Published.
Page generated: Fri Aug 2 06:05:24 2024

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