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Fluorine in PDB 2pl9: Crystal Structure of Chey-Mg(2+)-Bef(3)(-) in Complex with Chez(C19) Peptide Solved From A P2(1)2(1)2 Crystal

Protein crystallography data

The structure of Crystal Structure of Chey-Mg(2+)-Bef(3)(-) in Complex with Chez(C19) Peptide Solved From A P2(1)2(1)2 Crystal, PDB code: 2pl9 was solved by J.Guhaniyogi, A.M.Stock, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.40 / 2.60
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 68.058, 162.972, 37.341, 90.00, 90.00, 90.00
R / Rfree (%) 21.3 / 27.4

Other elements in 2pl9:

The structure of Crystal Structure of Chey-Mg(2+)-Bef(3)(-) in Complex with Chez(C19) Peptide Solved From A P2(1)2(1)2 Crystal also contains other interesting chemical elements:

Magnesium (Mg) 3 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Chey-Mg(2+)-Bef(3)(-) in Complex with Chez(C19) Peptide Solved From A P2(1)2(1)2 Crystal (pdb code 2pl9). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 9 binding sites of Fluorine where determined in the Crystal Structure of Chey-Mg(2+)-Bef(3)(-) in Complex with Chez(C19) Peptide Solved From A P2(1)2(1)2 Crystal, PDB code: 2pl9:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Fluorine binding site 1 out of 9 in 2pl9

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Fluorine binding site 1 out of 9 in the Crystal Structure of Chey-Mg(2+)-Bef(3)(-) in Complex with Chez(C19) Peptide Solved From A P2(1)2(1)2 Crystal


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 Chey-Mg(2+)-Bef(3)(-) in Complex with Chez(C19) Peptide Solved From A P2(1)2(1)2 Crystal within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F131

b:18.3
occ:1.00
 F1 A:BEF131 0.0 18.3 1.0
BE A:BEF131 1.5 19.3 1.0
MG A:MG130 2.1 21.9 1.0
F2 A:BEF131 2.5 20.4 1.0
F3 A:BEF131 2.5 18.1 1.0
OD1 A:ASP57 2.7 22.0 1.0
OD2 A:ASP57 2.9 22.9 1.0
CG A:ASP57 3.2 21.6 1.0
O A:ASN59 3.2 20.7 1.0
O A:HOH132 3.3 15.8 1.0
O A:HOH144 3.3 35.6 1.0
CB A:ASN59 3.5 22.1 1.0
N A:ASN59 3.6 20.7 1.0
CA A:ASN59 3.8 21.4 1.0
C A:ASN59 3.9 21.1 1.0
OD1 A:ASP13 4.2 20.8 1.0
NZ A:LYS109 4.2 21.3 1.0
ND2 A:ASN59 4.2 30.7 1.0
CG A:ASN59 4.3 25.3 1.0
O A:HOH147 4.3 15.8 1.0
OG1 A:THR87 4.5 19.5 1.0
N A:TRP58 4.6 20.2 1.0
C A:TRP58 4.7 20.5 1.0
CB A:ASP57 4.7 20.5 1.0
N A:ALA88 4.9 20.4 1.0

Fluorine binding site 2 out of 9 in 2pl9

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Fluorine binding site 2 out of 9 in the Crystal Structure of Chey-Mg(2+)-Bef(3)(-) in Complex with Chez(C19) Peptide Solved From A P2(1)2(1)2 Crystal


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 Chey-Mg(2+)-Bef(3)(-) in Complex with Chez(C19) Peptide Solved From A P2(1)2(1)2 Crystal within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F131

b:20.4
occ:1.00
 F2 A:BEF131 0.0 20.4 1.0
BE A:BEF131 1.5 19.3 1.0
OG1 A:THR87 2.3 19.5 1.0
OD1 A:ASP57 2.3 22.0 1.0
F3 A:BEF131 2.5 18.1 1.0
F1 A:BEF131 2.5 18.3 1.0
N A:ASN59 2.8 20.7 1.0
N A:TRP58 2.9 20.2 1.0
CB A:TRP58 3.2 19.4 1.0
CG A:ASP57 3.3 21.6 1.0
CB A:THR87 3.3 20.0 1.0
CA A:TRP58 3.4 20.1 1.0
C A:TRP58 3.5 20.5 1.0
OD2 A:ASP57 3.7 22.9 1.0
CA A:ASN59 3.8 21.4 1.0
CB A:ASN59 3.9 22.1 1.0
CA A:THR87 3.9 20.1 1.0
N A:ALA88 3.9 20.4 1.0
ND2 A:ASN59 4.0 30.7 1.0
CG A:ASN59 4.0 25.3 1.0
C A:ASP57 4.1 20.2 1.0
MG A:MG130 4.3 21.9 1.0
C A:THR87 4.4 20.7 1.0
O A:ASN59 4.5 20.7 1.0
N A:GLU89 4.5 20.7 1.0
CA A:ASP57 4.5 20.5 1.0
CB A:ASP57 4.5 20.5 1.0
CG A:TRP58 4.5 19.4 1.0
C A:ASN59 4.6 21.1 1.0
CG2 A:THR87 4.6 17.8 1.0
OD1 A:ASN59 4.7 26.9 1.0
O A:TRP58 4.7 20.4 1.0
CB A:GLU89 4.8 21.2 1.0
CA A:ALA88 4.9 20.4 1.0
NZ A:LYS109 5.0 21.3 1.0

Fluorine binding site 3 out of 9 in 2pl9

Go back to Fluorine Binding Sites List in 2pl9
Fluorine binding site 3 out of 9 in the Crystal Structure of Chey-Mg(2+)-Bef(3)(-) in Complex with Chez(C19) Peptide Solved From A P2(1)2(1)2 Crystal


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 Chey-Mg(2+)-Bef(3)(-) in Complex with Chez(C19) Peptide Solved From A P2(1)2(1)2 Crystal within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F131

b:18.1
occ:1.00
 F3 A:BEF131 0.0 18.1 1.0
BE A:BEF131 1.5 19.3 1.0
F2 A:BEF131 2.5 20.4 1.0
F1 A:BEF131 2.5 18.3 1.0
N A:ALA88 2.6 20.4 1.0
OD1 A:ASP57 2.7 22.0 1.0
NZ A:LYS109 3.0 21.3 1.0
OG1 A:THR87 3.2 19.5 1.0
CA A:THR87 3.4 20.1 1.0
C A:THR87 3.4 20.7 1.0
CB A:ALA88 3.5 19.3 1.0
CE A:LYS109 3.5 22.5 1.0
CA A:ALA88 3.6 20.4 1.0
CD A:LYS109 3.6 22.4 1.0
CG A:ASP57 3.8 21.6 1.0
CB A:THR87 3.8 20.0 1.0
O A:HOH132 4.1 15.8 1.0
OD2 A:ASP57 4.2 22.9 1.0
MG A:MG130 4.3 21.9 1.0
N A:GLU89 4.5 20.7 1.0
C A:ALA88 4.6 20.4 1.0
CG A:LYS109 4.6 23.4 1.0
O A:VAL86 4.6 21.7 1.0
O A:THR87 4.6 20.9 1.0
O A:HOH147 4.6 15.8 1.0
N A:THR87 4.6 20.4 1.0
N A:TRP58 4.8 20.2 1.0
O A:HOH146 5.0 28.4 1.0

Fluorine binding site 4 out of 9 in 2pl9

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Fluorine binding site 4 out of 9 in the Crystal Structure of Chey-Mg(2+)-Bef(3)(-) in Complex with Chez(C19) Peptide Solved From A P2(1)2(1)2 Crystal


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 Chey-Mg(2+)-Bef(3)(-) in Complex with Chez(C19) Peptide Solved From A P2(1)2(1)2 Crystal within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F131

b:21.5
occ:1.00
 F1 B:BEF131 0.0 21.5 1.0
BE B:BEF131 1.5 21.6 1.0
MG B:MG130 2.0 21.2 1.0
F2 B:BEF131 2.4 22.0 1.0
F3 B:BEF131 2.4 22.4 1.0
OD2 B:ASP57 2.7 20.4 1.0
OD1 B:ASP57 2.9 20.1 1.0
O B:ASN59 2.9 21.1 1.0
O B:HOH133 2.9 6.0 1.0
CG B:ASP57 3.2 20.5 1.0
O B:HOH134 3.3 23.7 1.0
CB B:ASN59 3.4 21.8 1.0
N B:ASN59 3.6 21.2 1.0
C B:ASN59 3.7 21.3 1.0
CA B:ASN59 3.7 21.6 1.0
OD2 B:ASP13 4.1 19.3 1.0
NZ B:LYS109 4.2 23.0 1.0
ND2 B:ASN59 4.3 24.2 1.0
CG B:ASN59 4.4 23.3 1.0
C B:TRP58 4.7 21.4 1.0
CB B:ASP57 4.7 20.7 1.0
N B:TRP58 4.7 21.2 1.0
OG1 B:THR87 5.0 17.6 1.0
N B:MET60 5.0 20.9 1.0

Fluorine binding site 5 out of 9 in 2pl9

Go back to Fluorine Binding Sites List in 2pl9
Fluorine binding site 5 out of 9 in the Crystal Structure of Chey-Mg(2+)-Bef(3)(-) in Complex with Chez(C19) Peptide Solved From A P2(1)2(1)2 Crystal


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 Chey-Mg(2+)-Bef(3)(-) in Complex with Chez(C19) Peptide Solved From A P2(1)2(1)2 Crystal within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F131

b:22.0
occ:1.00
 F2 B:BEF131 0.0 22.0 1.0
BE B:BEF131 1.5 21.6 1.0
F1 B:BEF131 2.4 21.5 1.0
F3 B:BEF131 2.4 22.4 1.0
OD1 B:ASP57 2.5 20.1 1.0
OG1 B:THR87 2.6 17.6 1.0
N B:ASN59 2.8 21.2 1.0
N B:TRP58 3.2 21.2 1.0
CG B:ASP57 3.4 20.5 1.0
CB B:TRP58 3.4 21.2 1.0
CA B:TRP58 3.6 21.2 1.0
CB B:THR87 3.6 17.8 1.0
ND2 B:ASN59 3.6 24.2 1.0
C B:TRP58 3.6 21.4 1.0
CB B:ASN59 3.6 21.8 1.0
CA B:ASN59 3.7 21.6 1.0
N B:ALA88 3.8 18.6 1.0
OD2 B:ASP57 3.8 20.4 1.0
CG B:ASN59 3.9 23.3 1.0
CA B:THR87 4.1 18.1 1.0
MG B:MG130 4.2 21.2 1.0
O B:ASN59 4.2 21.1 1.0
N B:GLU89 4.3 20.5 1.0
C B:ASP57 4.4 21.0 1.0
C B:THR87 4.4 18.1 1.0
C B:ASN59 4.4 21.3 1.0
CB B:ALA88 4.6 18.9 1.0
CA B:ALA88 4.6 19.1 1.0
CB B:ASP57 4.7 20.7 1.0
CG B:TRP58 4.7 21.9 1.0
OD1 B:ASN59 4.7 24.9 1.0
CA B:ASP57 4.7 21.2 1.0
CB B:GLU89 4.8 22.2 1.0
O B:TRP58 4.8 22.1 1.0
NZ B:LYS109 4.9 23.0 1.0
O B:HOH133 4.9 6.0 1.0
CG2 B:THR87 4.9 16.7 1.0
C B:ALA88 5.0 19.6 1.0

Fluorine binding site 6 out of 9 in 2pl9

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Fluorine binding site 6 out of 9 in the Crystal Structure of Chey-Mg(2+)-Bef(3)(-) in Complex with Chez(C19) Peptide Solved From A P2(1)2(1)2 Crystal


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 Chey-Mg(2+)-Bef(3)(-) in Complex with Chez(C19) Peptide Solved From A P2(1)2(1)2 Crystal within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F131

b:22.4
occ:1.00
 F3 B:BEF131 0.0 22.4 1.0
BE B:BEF131 1.5 21.6 1.0
F2 B:BEF131 2.4 22.0 1.0
F1 B:BEF131 2.4 21.5 1.0
OD1 B:ASP57 2.5 20.1 1.0
NZ B:LYS109 2.7 23.0 1.0
N B:ALA88 3.0 18.6 1.0
CE B:LYS109 3.2 24.1 1.0
CG B:ASP57 3.5 20.5 1.0
CB B:ALA88 3.5 18.9 1.0
O B:HOH133 3.5 6.0 1.0
CD B:LYS109 3.6 22.1 1.0
CA B:THR87 3.8 18.1 1.0
OG1 B:THR87 3.8 17.6 1.0
C B:THR87 3.8 18.1 1.0
OD2 B:ASP57 3.9 20.4 1.0
CA B:ALA88 3.9 19.1 1.0
MG B:MG130 4.1 21.2 1.0
CB B:THR87 4.3 17.8 1.0
OD2 B:ASP12 4.6 21.5 1.0
CG B:LYS109 4.6 20.8 1.0
CB B:ASP57 4.7 20.7 1.0
O B:VAL86 4.7 19.3 1.0
N B:TRP58 4.8 21.2 1.0
N B:GLU89 4.9 20.5 1.0
C B:ALA88 4.9 19.6 1.0
N B:THR87 5.0 18.8 1.0
N B:ASN59 5.0 21.2 1.0

Fluorine binding site 7 out of 9 in 2pl9

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Fluorine binding site 7 out of 9 in the Crystal Structure of Chey-Mg(2+)-Bef(3)(-) in Complex with Chez(C19) Peptide Solved From A P2(1)2(1)2 Crystal


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 Chey-Mg(2+)-Bef(3)(-) in Complex with Chez(C19) Peptide Solved From A P2(1)2(1)2 Crystal within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F131

b:24.0
occ:1.00
 F1 C:BEF131 0.0 24.0 1.0
BE C:BEF131 1.5 25.9 1.0
MG C:MG130 1.9 18.9 1.0
F2 C:BEF131 2.5 25.5 1.0
F3 C:BEF131 2.5 26.3 1.0
OD2 C:ASP57 2.7 19.1 1.0
O C:HOH132 2.7 18.0 1.0
OD1 C:ASP57 2.8 20.7 1.0
O C:ASN59 3.1 22.2 1.0
CG C:ASP57 3.1 20.7 1.0
O C:HOH133 3.1 14.1 1.0
CB C:ASN59 3.2 21.9 1.0
N C:ASN59 3.6 21.5 1.0
CA C:ASN59 3.7 22.1 1.0
C C:ASN59 3.8 21.9 1.0
OD1 C:ASP13 4.0 20.9 1.0
CG C:ASN59 4.4 22.5 1.0
NZ C:LYS109 4.4 21.5 1.0
CB C:ASP57 4.6 21.0 1.0
C C:TRP58 4.6 21.4 1.0
N C:TRP58 4.7 21.1 1.0
ND2 C:ASN59 4.9 25.8 1.0
OG1 C:THR87 4.9 23.4 1.0
CG C:ASP13 5.0 20.6 1.0

Fluorine binding site 8 out of 9 in 2pl9

Go back to Fluorine Binding Sites List in 2pl9
Fluorine binding site 8 out of 9 in the Crystal Structure of Chey-Mg(2+)-Bef(3)(-) in Complex with Chez(C19) Peptide Solved From A P2(1)2(1)2 Crystal


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 Chey-Mg(2+)-Bef(3)(-) in Complex with Chez(C19) Peptide Solved From A P2(1)2(1)2 Crystal within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F131

b:25.5
occ:1.00
 F2 C:BEF131 0.0 25.5 1.0
BE C:BEF131 1.5 25.9 1.0
OD1 C:ASP57 2.4 20.7 1.0
F1 C:BEF131 2.5 24.0 1.0
F3 C:BEF131 2.5 26.3 1.0
OG1 C:THR87 2.6 23.4 1.0
N C:ASN59 2.8 21.5 1.0
N C:TRP58 3.3 21.1 1.0
CG C:ASP57 3.4 20.7 1.0
CB C:TRP58 3.5 21.0 1.0
CB C:ASN59 3.5 21.9 1.0
CB C:THR87 3.5 22.1 1.0
CA C:TRP58 3.7 21.1 1.0
CA C:ASN59 3.7 22.1 1.0
C C:TRP58 3.7 21.4 1.0
OD2 C:ASP57 3.7 19.1 1.0
N C:ALA88 3.8 21.7 1.0
CA C:THR87 4.0 22.1 1.0
MG C:MG130 4.2 18.9 1.0
C C:THR87 4.4 21.9 1.0
O C:ASN59 4.4 22.2 1.0
C C:ASP57 4.5 21.4 1.0
C C:ASN59 4.5 21.9 1.0
N C:GLU89 4.6 22.3 1.0
CG C:TRP58 4.7 21.2 1.0
CB C:ASP57 4.7 21.0 1.0
CA C:ALA88 4.7 21.8 1.0
CA C:ASP57 4.8 21.2 1.0
CB C:ALA88 4.8 21.8 1.0
CG2 C:THR87 4.8 22.1 1.0
O C:HOH132 4.9 18.0 1.0
O C:TRP58 4.9 21.0 1.0
CG C:ASN59 5.0 22.5 1.0

Fluorine binding site 9 out of 9 in 2pl9

Go back to Fluorine Binding Sites List in 2pl9
Fluorine binding site 9 out of 9 in the Crystal Structure of Chey-Mg(2+)-Bef(3)(-) in Complex with Chez(C19) Peptide Solved From A P2(1)2(1)2 Crystal


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Crystal Structure of Chey-Mg(2+)-Bef(3)(-) in Complex with Chez(C19) Peptide Solved From A P2(1)2(1)2 Crystal within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F131

b:26.3
occ:1.00
 F3 C:BEF131 0.0 26.3 1.0
BE C:BEF131 1.5 25.9 1.0
OD1 C:ASP57 2.5 20.7 1.0
F1 C:BEF131 2.5 24.0 1.0
F2 C:BEF131 2.5 25.5 1.0
NZ C:LYS109 2.8 21.5 1.0
N C:ALA88 3.1 21.7 1.0
CD C:LYS109 3.3 20.3 1.0
CE C:LYS109 3.3 21.6 1.0
CG C:ASP57 3.4 20.7 1.0
CA C:THR87 3.6 22.1 1.0
O C:HOH132 3.6 18.0 1.0
OG1 C:THR87 3.7 23.4 1.0
C C:THR87 3.8 21.9 1.0
OD2 C:ASP57 3.8 19.1 1.0
CB C:ALA88 3.8 21.8 1.0
MG C:MG130 4.0 18.9 1.0
CA C:ALA88 4.1 21.8 1.0
CB C:THR87 4.1 22.1 1.0
O C:VAL86 4.5 21.9 1.0
CG C:LYS109 4.6 21.0 1.0
CB C:ASP57 4.6 21.0 1.0
OD2 C:ASP12 4.6 19.1 1.0
N C:TRP58 4.8 21.1 1.0
N C:THR87 4.8 22.2 1.0
N C:ASN59 5.0 21.5 1.0

Reference:

J.Guhaniyogi, T.Wu, S.S.Patel, A.M.Stock. Interaction of Chey with the C-Terminal Peptide of Chez. J.Bacteriol. V. 190 1419 2008.
ISSN: ISSN 0021-9193
PubMed: 18083806
DOI: 10.1128/JB.01414-07
Page generated: Wed Jul 31 15:37:39 2024

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