Fluorine in PDB 7q6p: Crystal Structure of Bacterial Prolyl Peptidyl Isomerase with 5,5'- Difluoroleucines

Enzymatic activity of Crystal Structure of Bacterial Prolyl Peptidyl Isomerase with 5,5'- Difluoroleucines

All present enzymatic activity of Crystal Structure of Bacterial Prolyl Peptidyl Isomerase with 5,5'- Difluoroleucines:
5.2.1.8;

Protein crystallography data

The structure of Crystal Structure of Bacterial Prolyl Peptidyl Isomerase with 5,5'- Difluoroleucines, PDB code: 7q6p was solved by K.Tars, K.Jaudzems, R.Recacha, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 57.40 / 1.82
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 79.061, 83.46, 122.84, 90, 90, 90
R / Rfree (%) 23.9 / 27.9

Fluorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 32;

Binding sites:

The binding sites of Fluorine atom in the Crystal Structure of Bacterial Prolyl Peptidyl Isomerase with 5,5'- Difluoroleucines (pdb code 7q6p). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 32 binding sites of Fluorine where determined in the Crystal Structure of Bacterial Prolyl Peptidyl Isomerase with 5,5'- Difluoroleucines, PDB code: 7q6p:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 32 in 7q6p

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Fluorine binding site 1 out of 32 in the Crystal Structure of Bacterial Prolyl Peptidyl Isomerase with 5,5'- Difluoroleucines


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 Bacterial Prolyl Peptidyl Isomerase with 5,5'- Difluoroleucines within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F28

b:30.0
occ:1.00
 F1 A:FFL28 0.0 30.0 1.0
CD1 A:FFL28 1.4 23.7 1.0
O A:HOH354 2.3 26.6 1.0
CG A:FFL28 2.4 17.9 1.0
F2 A:FFL28 2.5 33.4 1.0
CD2 A:FFL28 2.8 19.2 1.0
CG1 A:VAL24 3.3 11.4 1.0
OG1 A:THR15 3.6 14.8 1.0
CB A:FFL28 3.8 12.9 1.0
O A:HOH436 3.8 34.7 1.0
CG2 A:THR15 4.0 12.9 1.0
OD2 A:ASP17 4.2 20.3 1.0
CB A:THR15 4.2 14.3 1.0
O A:HOH443 4.2 28.7 1.0
O A:HOH404 4.4 27.4 1.0
O A:VAL24 4.4 14.0 1.0
OD1 A:ASP17 4.7 15.6 1.0
CG A:ASP17 4.8 19.1 1.0
CB A:VAL24 4.9 11.6 1.0
CA A:FFL28 4.9 12.9 1.0

Fluorine binding site 2 out of 32 in 7q6p

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Fluorine binding site 2 out of 32 in the Crystal Structure of Bacterial Prolyl Peptidyl Isomerase with 5,5'- Difluoroleucines


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 Bacterial Prolyl Peptidyl Isomerase with 5,5'- Difluoroleucines within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F28

b:33.4
occ:1.00
 F2 A:FFL28 0.0 33.4 1.0
CD2 A:FFL28 1.4 19.2 1.0
CG A:FFL28 2.4 17.9 1.0
F1 A:FFL28 2.5 30.0 1.0
CD1 A:FFL28 2.9 23.7 1.0
O A:HOH354 3.0 26.6 1.0
CG2 A:VAL2 3.0 21.6 1.0
CG2 A:THR15 3.6 12.9 1.0
CB A:FFL28 3.7 12.9 1.0
CD2 A:PHE27 4.0 12.8 1.0
O A:HOH436 4.1 34.7 1.0
CE2 A:PHE27 4.1 14.8 1.0
CA A:FFL28 4.2 12.9 1.0
CB A:VAL2 4.2 17.3 1.0
OG1 A:THR15 4.4 14.8 1.0
CB A:THR15 4.6 14.3 1.0
N A:FFL28 4.7 13.1 1.0
CG1 A:VAL24 4.8 11.4 1.0
CG1 A:VAL162 4.9 17.3 1.0

Fluorine binding site 3 out of 32 in 7q6p

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Fluorine binding site 3 out of 32 in the Crystal Structure of Bacterial Prolyl Peptidyl Isomerase with 5,5'- Difluoroleucines


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 Bacterial Prolyl Peptidyl Isomerase with 5,5'- Difluoroleucines within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F76

b:21.2
occ:1.00
 F1 A:FFL76 0.0 21.2 1.0
CD1 A:FFL76 1.4 16.5 1.0
CG A:FFL76 2.4 17.3 1.0
CD2 A:FFL76 2.8 24.0 1.0
CB A:LYS19 3.0 19.2 1.0
CG A:LYS19 3.2 20.1 1.0
CD2 A:PHE16 3.4 14.0 1.0
CG1 D:VAL127 3.4 18.3 1.0
F2 A:FFL76 3.5 23.5 1.0
CB A:PHE16 3.5 14.4 1.0
CG A:PHE16 3.6 14.2 1.0
CB A:FFL76 3.7 14.3 1.0
CB D:VAL127 3.8 18.2 1.0
CE2 A:PHE16 4.2 14.3 1.0
ND2 A:ASN74 4.3 13.2 1.0
CA A:LYS19 4.4 15.5 1.0
CD A:LYS19 4.5 25.8 1.0
CD1 A:PHE16 4.6 15.6 1.0
CA D:VAL127 4.7 16.6 1.0
CG A:ASN74 4.7 18.1 1.0
O A:VAL122 4.7 12.3 1.0
CE A:LYS19 4.7 28.3 1.0
O A:PHE16 4.9 13.3 1.0
C A:LYS19 4.9 15.7 1.0
CA A:PHE16 4.9 14.2 1.0
N A:LYS19 4.9 14.9 1.0

Fluorine binding site 4 out of 32 in 7q6p

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Fluorine binding site 4 out of 32 in the Crystal Structure of Bacterial Prolyl Peptidyl Isomerase with 5,5'- Difluoroleucines


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 Bacterial Prolyl Peptidyl Isomerase with 5,5'- Difluoroleucines within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F76

b:23.5
occ:1.00
 F2 A:FFL76 0.0 23.5 1.0
CD2 A:FFL76 1.4 24.0 1.0
CG A:FFL76 2.4 17.3 1.0
CB A:FFL76 2.9 14.3 1.0
CD1 A:FFL76 3.0 16.5 1.0
O A:HOH383 3.1 21.9 1.0
CD D:LYS14 3.1 24.8 1.0
CA A:FFL76 3.4 15.7 1.0
F1 A:FFL76 3.5 21.2 1.0
CB D:LYS14 4.0 27.2 1.0
CG1 D:VAL127 4.1 18.3 1.0
CE D:LYS14 4.1 24.1 1.0
CG D:LYS14 4.1 25.8 1.0
N A:FFL76 4.3 16.9 1.0
CE1 D:PHE16 4.5 35.2 1.0
C A:FFL76 4.5 16.6 1.0
OE1 D:GLU125 4.5 35.8 1.0
N A:LYS77 4.6 16.5 1.0
CE2 A:PHE16 4.7 14.3 1.0
O A:GLY75 4.9 21.1 1.0
C A:GLY75 4.9 20.9 1.0
CD2 A:PHE16 4.9 14.0 1.0

Fluorine binding site 5 out of 32 in 7q6p

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Fluorine binding site 5 out of 32 in the Crystal Structure of Bacterial Prolyl Peptidyl Isomerase with 5,5'- Difluoroleucines


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 Bacterial Prolyl Peptidyl Isomerase with 5,5'- Difluoroleucines within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F83

b:18.4
occ:1.00
 F1 A:FFL83 0.0 18.4 1.0
CD1 A:FFL83 1.4 13.2 1.0
CG A:FFL83 2.4 13.4 1.0
CD2 A:FFL83 2.9 12.6 1.0
CE2 A:PHE4 3.2 21.0 1.0
CE1 A:PHE98 3.5 15.7 1.0
F2 A:FFL83 3.5 14.4 1.0
CD1 A:PHE98 3.7 11.7 1.0
CB A:FFL83 3.7 10.6 1.0
CG2 A:ILE13 3.8 16.4 1.0
CG1 A:ILE100 3.8 14.0 1.0
CD1 A:ILE100 3.9 11.3 1.0
CZ A:PHE4 3.9 22.0 1.0
CD1 A:ILE13 4.1 19.9 1.0
CD2 A:PHE4 4.1 23.5 1.0
CZ A:PHE98 4.3 16.7 1.0
CG A:PHE98 4.6 13.0 1.0
CB A:ILE13 4.7 15.4 1.0
CG1 A:ILE13 4.9 18.0 1.0
CA A:FFL83 4.9 11.0 1.0

Fluorine binding site 6 out of 32 in 7q6p

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Fluorine binding site 6 out of 32 in the Crystal Structure of Bacterial Prolyl Peptidyl Isomerase with 5,5'- Difluoroleucines


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 Bacterial Prolyl Peptidyl Isomerase with 5,5'- Difluoroleucines within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F83

b:14.4
occ:1.00
 F2 A:FFL83 0.0 14.4 1.0
CD2 A:FFL83 1.4 12.6 1.0
CG A:FFL83 2.4 13.4 1.0
CD1 A:FFL83 3.0 13.2 1.0
CB A:FFL83 3.0 10.6 1.0
N A:GLU125 3.2 10.8 1.0
CA A:GLU125 3.2 11.9 1.0
C A:GLU125 3.3 13.3 1.0
C A:ALA124 3.4 12.8 1.0
CG2 A:ILE13 3.5 16.4 1.0
N A:FFL83 3.5 11.2 1.0
F1 A:FFL83 3.5 18.4 1.0
N A:VAL126 3.5 11.4 1.0
O A:ALA124 3.5 11.0 1.0
CB A:ILE13 3.7 15.4 1.0
CB A:ALA124 3.7 10.3 1.0
CA A:FFL83 3.8 11.0 1.0
O A:GLU125 3.9 14.5 1.0
O A:GLY81 4.0 11.8 1.0
CD1 A:ILE13 4.1 19.9 1.0
CA A:ALA124 4.1 11.3 1.0
C A:THR82 4.2 11.6 1.0
CG2 A:VAL126 4.3 16.0 1.0
CA A:VAL126 4.4 13.6 1.0
CG1 A:ILE13 4.5 18.0 1.0
CB A:GLU125 4.7 14.3 1.0
CA A:THR82 4.8 11.9 1.0
CA A:ILE13 4.8 13.7 1.0
O A:THR82 4.9 12.8 1.0
N A:ALA124 4.9 10.8 1.0
CB A:VAL126 5.0 14.5 1.0

Fluorine binding site 7 out of 32 in 7q6p

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Fluorine binding site 7 out of 32 in the Crystal Structure of Bacterial Prolyl Peptidyl Isomerase with 5,5'- Difluoroleucines


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 Bacterial Prolyl Peptidyl Isomerase with 5,5'- Difluoroleucines within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F108

b:21.2
occ:1.00
 F1 A:FFL108 0.0 21.2 1.0
CD1 A:FFL108 1.4 15.8 1.0
CG A:FFL108 2.4 16.5 1.0
CD2 A:FFL108 2.8 17.5 1.0
CE1 A:PHE48 3.2 14.5 1.0
OD1 A:ASN101 3.2 13.2 1.0
CB A:ASN105 3.4 14.4 1.0
ND2 A:ASN105 3.4 13.9 1.0
CG A:ASN105 3.6 15.3 1.0
CE2 A:PHE99 3.6 12.2 1.0
CB A:FFL108 3.7 13.8 1.0
CZ A:PHE48 4.0 16.8 1.0
CD1 A:PHE48 4.0 16.0 1.0
CZ A:PHE99 4.1 12.2 1.0
F2 A:FFL108 4.1 24.3 1.0
CE2 A:PHE107 4.2 17.6 1.0
CG A:ASN101 4.4 12.8 1.0
CZ A:PHE107 4.4 15.2 1.0
CD2 A:PHE99 4.5 12.0 1.0
OD1 A:ASN105 4.5 16.3 1.0
CG A:MET49 4.6 12.9 1.0
O A:ASN105 4.7 15.9 1.0
CA A:ASN105 4.8 17.1 1.0
OD1 A:ASN78 4.9 12.6 1.0
CB A:MET49 5.0 12.8 1.0

Fluorine binding site 8 out of 32 in 7q6p

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Fluorine binding site 8 out of 32 in the Crystal Structure of Bacterial Prolyl Peptidyl Isomerase with 5,5'- Difluoroleucines


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 Bacterial Prolyl Peptidyl Isomerase with 5,5'- Difluoroleucines within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F108

b:24.3
occ:1.00
 F2 A:FFL108 0.0 24.3 1.0
CD2 A:FFL108 1.4 17.5 1.0
CG A:FFL108 2.4 16.5 1.0
CB A:FFL108 3.0 13.8 1.0
CA A:FFL108 3.0 14.7 1.0
CD2 A:PHE107 3.3 18.7 1.0
O A:HOH465 3.4 30.4 1.0
CE2 A:PHE107 3.5 17.6 1.0
N A:FFL108 3.5 16.7 1.0
CE1 A:TYR120 3.7 13.6 1.0
CD1 A:TYR120 3.7 15.5 1.0
CD1 A:FFL108 3.7 15.8 1.0
O A:PHE107 3.8 16.0 1.0
C A:PHE107 3.9 18.7 1.0
O A:HOH324 4.0 27.4 1.0
F1 A:FFL108 4.1 21.2 1.0
C A:FFL108 4.4 17.3 1.0
CG A:PHE107 4.5 19.9 1.0
CZ A:TYR120 4.6 14.9 1.0
O A:HOH447 4.6 37.4 1.0
O A:HOH387 4.7 31.1 1.0
CG A:TYR120 4.7 12.8 1.0
CZ A:PHE107 4.7 15.2 1.0
O A:FFL108 4.8 14.5 1.0

Fluorine binding site 9 out of 32 in 7q6p

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Fluorine binding site 9 out of 32 in the Crystal Structure of Bacterial Prolyl Peptidyl Isomerase with 5,5'- Difluoroleucines


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 Bacterial Prolyl Peptidyl Isomerase with 5,5'- Difluoroleucines within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F115

b:31.0
occ:1.00
 F1 A:FFL115 0.0 31.0 1.0
CD1 A:FFL115 1.4 26.1 1.0
CG A:FFL115 2.4 29.1 1.0
O2 A:SO4201 2.9 24.6 1.0
CD2 A:FFL115 3.4 24.1 1.0
F2 A:FFL115 3.6 32.3 1.0
CB A:FFL115 3.6 24.1 1.0
O4 A:SO4201 3.9 23.4 1.0
S A:SO4201 3.9 28.5 1.0
O3 A:SO4201 4.4 26.6 1.0
CA A:FFL115 4.8 24.9 1.0

Fluorine binding site 10 out of 32 in 7q6p

Go back to Fluorine Binding Sites List in 7q6p
Fluorine binding site 10 out of 32 in the Crystal Structure of Bacterial Prolyl Peptidyl Isomerase with 5,5'- Difluoroleucines


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Crystal Structure of Bacterial Prolyl Peptidyl Isomerase with 5,5'- Difluoroleucines within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F115

b:32.3
occ:1.00
 F2 A:FFL115 0.0 32.3 1.0
CD2 A:FFL115 1.4 24.1 1.0
CG A:FFL115 2.4 29.1 1.0
CD1 A:FFL115 3.3 26.1 1.0
CD A:PRO91 3.4 19.3 1.0
F1 A:FFL115 3.6 31.0 1.0
CB A:FFL115 3.6 24.1 1.0
CA A:FFL115 3.9 24.9 1.0
CG A:PRO91 4.1 20.4 1.0
OE1 A:GLN89 4.2 33.2 1.0
O A:GLN89 4.3 18.4 1.0
O A:HOH454 4.4 22.8 1.0
CA A:ALA90 4.5 21.3 1.0
N A:FFL115 4.6 18.6 1.0
N A:PRO91 4.7 16.6 1.0
CG A:GLN89 4.9 27.7 1.0

Reference:

K.Tars, K.Jaudzems, R.Recacha. Crystal Structure of Bacterial Prolyl Peptidyl Isomerase with 5,5'-Difluoroleucines To Be Published.
Page generated: Fri Aug 2 11:15:46 2024

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