Fluorine in PDB 7ol7: Crystal Structure of Lysozyme in Complex with Trifluoroethanol: Tetragonal Form

Enzymatic activity of Crystal Structure of Lysozyme in Complex with Trifluoroethanol: Tetragonal Form

All present enzymatic activity of Crystal Structure of Lysozyme in Complex with Trifluoroethanol: Tetragonal Form:
3.2.1.17;

Protein crystallography data

The structure of Crystal Structure of Lysozyme in Complex with Trifluoroethanol: Tetragonal Form, PDB code: 7ol7 was solved by A.Camara-Artigas, M.C.Salinas-Garcia, M.Plaza-Garrido, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.05 / 1.15
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 78.547, 78.547, 37.332, 90, 90, 90
R / Rfree (%) 15.4 / 17.4

Other elements in 7ol7:

The structure of Crystal Structure of Lysozyme in Complex with Trifluoroethanol: Tetragonal Form also contains other interesting chemical elements:

Chlorine (Cl) 5 atoms
Sodium (Na) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Lysozyme in Complex with Trifluoroethanol: Tetragonal Form (pdb code 7ol7). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Crystal Structure of Lysozyme in Complex with Trifluoroethanol: Tetragonal Form, PDB code: 7ol7:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 7ol7

Go back to Fluorine Binding Sites List in 7ol7
Fluorine binding site 1 out of 6 in the Crystal Structure of Lysozyme in Complex with Trifluoroethanol: Tetragonal Form


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 Lysozyme in Complex with Trifluoroethanol: Tetragonal Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F207

b:41.7
occ:1.00
 F1 A:ETF207 0.0 41.7 1.0
C1 A:ETF207 1.3 37.5 1.0
F2 A:ETF207 2.2 35.3 1.0
F3 A:ETF207 2.2 34.5 1.0
C2 A:ETF207 2.4 34.5 1.0
H22 A:ETF207 2.6 41.4 1.0
O A:ETF207 2.7 32.1 1.0
O A:HOH351 2.8 27.9 1.0
H21 A:ETF207 3.3 41.4 1.0
O A:HOH365 3.3 25.0 1.0
O A:ALA107 3.4 17.8 1.0
HA A:TRP108 3.4 18.4 1.0
O A:GLN57 3.5 14.6 1.0
HD1 A:TRP108 3.5 18.6 1.0
CD1 A:TRP108 3.5 15.5 1.0
HO A:ETF207 3.6 38.5 1.0
O A:HOH406 3.6 42.3 1.0
HA A:ILE58 3.7 16.7 1.0
NE1 A:TRP108 3.7 15.2 1.0
HE1 A:TRP108 3.7 18.2 1.0
O A:HOH326 4.1 34.4 1.0
CG A:TRP108 4.1 14.9 1.0
C A:ALA107 4.2 15.5 1.0
CA A:TRP108 4.3 15.3 1.0
H A:ASN59 4.3 17.1 1.0
HB2 A:ASN59 4.3 21.0 1.0
CE2 A:TRP108 4.3 14.0 1.0
HB1 A:ALA107 4.4 20.7 1.0
O A:LEU56 4.4 15.0 1.0
C A:GLN57 4.4 13.5 1.0
N A:TRP108 4.5 14.1 1.0
HD13 A:ILE98 4.6 20.8 1.0
CA A:ILE58 4.6 13.9 1.0
CD2 A:TRP108 4.6 14.3 1.0
HG21 A:ILE98 4.7 19.6 1.0
H A:VAL109 4.8 21.1 0.5
CB A:TRP108 4.8 14.9 1.0
N A:ASN59 4.8 14.3 1.0
HG12 A:ILE58 4.8 19.0 1.0
HB3 A:ASN59 4.9 21.0 1.0
N A:ILE58 4.9 13.7 1.0

Fluorine binding site 2 out of 6 in 7ol7

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Fluorine binding site 2 out of 6 in the Crystal Structure of Lysozyme in Complex with Trifluoroethanol: Tetragonal Form


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 Lysozyme in Complex with Trifluoroethanol: Tetragonal Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F207

b:35.3
occ:1.00
 F2 A:ETF207 0.0 35.3 1.0
C1 A:ETF207 1.3 37.5 1.0
F3 A:ETF207 2.1 34.5 1.0
F1 A:ETF207 2.2 41.7 1.0
C2 A:ETF207 2.3 34.5 1.0
O A:ETF207 2.5 32.1 1.0
HA A:ILE58 2.6 16.7 1.0
H21 A:ETF207 2.6 41.4 1.0
HD13 A:ILE98 2.6 20.8 1.0
HG12 A:ILE58 2.8 19.0 1.0
HE1 A:TRP108 2.8 18.2 1.0
NE1 A:TRP108 3.0 15.2 1.0
H22 A:ETF207 3.3 41.4 1.0
HO A:ETF207 3.4 38.5 1.0
CE2 A:TRP108 3.5 14.0 1.0
CD1 A:ILE98 3.5 17.3 1.0
CA A:ILE58 3.5 13.9 1.0
HG21 A:ILE98 3.5 19.6 1.0
CG1 A:ILE58 3.6 15.8 1.0
HD12 A:ILE98 3.6 20.8 1.0
HZ2 A:TRP108 3.7 17.8 1.0
CD1 A:TRP108 3.7 15.5 1.0
HG13 A:ILE58 3.7 19.0 1.0
H A:ASN59 3.7 17.1 1.0
O A:GLN57 3.8 14.6 1.0
CZ2 A:TRP108 3.8 14.8 1.0
HG23 A:ILE58 3.8 18.8 1.0
HD11 A:ILE98 3.8 20.8 1.0
O A:LEU56 3.9 15.0 1.0
CB A:ILE58 4.0 14.7 1.0
HD1 A:TRP108 4.0 18.6 1.0
N A:ILE58 4.1 13.7 1.0
C A:GLN57 4.2 13.5 1.0
CD2 A:TRP108 4.3 14.3 1.0
N A:ASN59 4.3 14.3 1.0
CG2 A:ILE58 4.4 15.7 1.0
CG A:TRP108 4.4 14.9 1.0
CG2 A:ILE98 4.5 16.3 1.0
C A:ILE58 4.5 14.1 1.0
O A:HOH351 4.5 27.9 1.0
HD1 A:TRP63 4.6 20.5 1.0
HB1 A:ALA107 4.6 20.7 1.0
CG1 A:ILE98 4.7 16.8 1.0
CD1 A:ILE58 4.8 18.8 1.0
HG12 A:ILE98 4.8 20.2 1.0
H A:ILE58 4.8 16.4 1.0
HE1 A:TRP63 4.8 21.3 1.0
HB3 A:LEU56 4.8 18.5 1.0
CD1 A:TRP63 4.8 17.1 1.0
CH2 A:TRP108 4.8 14.8 1.0
HG22 A:ILE98 4.9 19.6 1.0
HD13 A:ILE58 4.9 22.6 1.0
O A:ALA107 4.9 17.8 1.0
HD11 A:ILE58 4.9 22.6 1.0
HB A:ILE58 4.9 17.7 1.0
HA A:TRP108 4.9 18.4 1.0
HG21 A:ILE58 4.9 18.8 1.0
HG23 A:ILE98 5.0 19.6 1.0
NE1 A:TRP63 5.0 17.8 1.0
C A:LEU56 5.0 14.0 1.0

Fluorine binding site 3 out of 6 in 7ol7

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Fluorine binding site 3 out of 6 in the Crystal Structure of Lysozyme in Complex with Trifluoroethanol: Tetragonal Form


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 Lysozyme in Complex with Trifluoroethanol: Tetragonal Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F207

b:34.5
occ:1.00
 F3 A:ETF207 0.0 34.5 1.0
C1 A:ETF207 1.3 37.5 1.0
F2 A:ETF207 2.1 35.3 1.0
F1 A:ETF207 2.2 41.7 1.0
C2 A:ETF207 2.3 34.5 1.0
H21 A:ETF207 2.6 41.4 1.0
H22 A:ETF207 2.7 41.4 1.0
HB1 A:ALA107 2.7 20.7 1.0
HG21 A:ILE98 2.8 19.6 1.0
HB3 A:ALA107 3.1 20.7 1.0
O A:ALA107 3.1 17.8 1.0
CE2 A:TRP108 3.1 14.0 1.0
NE1 A:TRP108 3.2 15.2 1.0
CB A:ALA107 3.3 17.2 1.0
CD2 A:TRP108 3.3 14.3 1.0
C A:ALA107 3.3 15.5 1.0
O A:ETF207 3.4 32.1 1.0
HD13 A:ILE98 3.5 20.8 1.0
CD1 A:TRP108 3.5 15.5 1.0
CG A:TRP108 3.5 14.9 1.0
HE1 A:TRP108 3.6 18.2 1.0
HA A:TRP108 3.6 18.4 1.0
CG2 A:ILE98 3.6 16.3 1.0
CZ2 A:TRP108 3.7 14.8 1.0
N A:TRP108 3.7 14.1 1.0
HG22 A:ILE98 3.8 19.6 1.0
HD1 A:TRP108 3.9 18.6 1.0
CA A:ALA107 4.0 15.9 1.0
CE3 A:TRP108 4.0 14.8 1.0
HG23 A:ILE98 4.0 19.6 1.0
CA A:TRP108 4.1 15.3 1.0
HZ2 A:TRP108 4.1 17.8 1.0
O A:HOH326 4.1 34.4 1.0
HB2 A:ALA107 4.1 20.7 1.0
H A:TRP108 4.2 16.9 1.0
HO A:ETF207 4.2 38.5 1.0
CH2 A:TRP108 4.3 14.8 1.0
CD1 A:ILE98 4.3 17.3 1.0
CB A:TRP108 4.4 14.9 1.0
CZ3 A:TRP108 4.4 15.3 1.0
HA A:ALA107 4.5 19.1 1.0
HD12 A:ILE98 4.5 20.8 1.0
HE3 A:TRP108 4.5 17.8 1.0
HA A:ILE58 4.6 16.7 1.0
O A:HOH365 4.6 25.0 1.0
HG12 A:ILE58 4.7 19.0 1.0
O A:HOH395 4.7 39.0 1.0
CB A:ILE98 4.7 15.2 1.0
HB A:ILE98 4.8 18.2 1.0
O A:HOH351 4.8 27.9 1.0
HE1 A:TRP63 4.8 21.3 1.0
HB2 A:TRP108 4.9 17.9 1.0
HH2 A:TRP108 4.9 17.8 1.0
CG1 A:ILE98 5.0 16.8 1.0
HG12 A:ILE98 5.0 20.2 1.0

Fluorine binding site 4 out of 6 in 7ol7

Go back to Fluorine Binding Sites List in 7ol7
Fluorine binding site 4 out of 6 in the Crystal Structure of Lysozyme in Complex with Trifluoroethanol: Tetragonal Form


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 Lysozyme in Complex with Trifluoroethanol: Tetragonal Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F208

b:45.9
occ:0.76
 F1 A:ETF208 0.0 45.9 0.8
C1 A:ETF208 1.4 44.7 0.8
F2 A:ETF208 2.2 49.5 0.8
F3 A:ETF208 2.2 46.2 0.8
C2 A:ETF208 2.4 42.2 0.8
H22 A:ETF208 2.7 50.7 0.8
O A:ETF208 2.7 41.8 0.8
HD22 A:ASN93 3.0 40.3 1.0
HG23 A:THR89 3.1 30.9 1.0
H21 A:ETF208 3.3 50.7 0.8
HO A:ETF208 3.4 50.1 0.8
HG21 A:THR89 3.7 30.9 1.0
ND2 A:ASN93 3.8 33.6 1.0
OD1 A:ASN93 3.8 31.6 1.0
CG2 A:THR89 3.8 25.8 1.0
CG A:ASN93 4.2 30.9 1.0
HG22 A:THR89 4.3 30.9 1.0
HD21 A:ASN93 4.5 40.3 1.0
ND1 A:HIS15 4.5 24.1 1.0
O A:HOH336 4.7 39.2 1.0
HZ3 A:LYS96 4.8 29.9 1.0
HB3 A:HIS15 4.9 26.2 1.0

Fluorine binding site 5 out of 6 in 7ol7

Go back to Fluorine Binding Sites List in 7ol7
Fluorine binding site 5 out of 6 in the Crystal Structure of Lysozyme in Complex with Trifluoroethanol: Tetragonal Form


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 Lysozyme in Complex with Trifluoroethanol: Tetragonal Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F208

b:49.5
occ:0.76
 F2 A:ETF208 0.0 49.5 0.8
C1 A:ETF208 1.4 44.7 0.8
F1 A:ETF208 2.2 45.9 0.8
F3 A:ETF208 2.2 46.2 0.8
C2 A:ETF208 2.4 42.2 0.8
H22 A:ETF208 2.5 50.7 0.8
H21 A:ETF208 2.7 50.7 0.8
O A:ETF208 3.6 41.8 0.8
HZ3 A:LYS96 4.0 29.9 1.0
HO A:ETF208 4.2 50.1 0.8
HZ2 A:LYS96 4.3 29.9 1.0
HA A:HIS15 4.3 26.2 1.0
NZ A:LYS96 4.5 24.9 1.0
O A:HIS15 4.5 23.2 1.0
HZ1 A:LYS96 4.6 29.9 1.0
OD1 A:ASN93 4.7 31.6 1.0
HD22 A:ASN93 4.8 40.3 1.0
HB3 A:HIS15 4.9 26.2 1.0
C A:HIS15 5.0 21.7 1.0

Fluorine binding site 6 out of 6 in 7ol7

Go back to Fluorine Binding Sites List in 7ol7
Fluorine binding site 6 out of 6 in the Crystal Structure of Lysozyme in Complex with Trifluoroethanol: Tetragonal Form


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 Lysozyme in Complex with Trifluoroethanol: Tetragonal Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F208

b:46.2
occ:0.76
 F3 A:ETF208 0.0 46.2 0.8
C1 A:ETF208 1.4 44.7 0.8
F1 A:ETF208 2.2 45.9 0.8
F2 A:ETF208 2.2 49.5 0.8
C2 A:ETF208 2.3 42.2 0.8
H21 A:ETF208 2.5 50.7 0.8
O A:ETF208 2.8 41.8 0.8
ND1 A:HIS15 3.1 24.1 1.0
HA A:HIS15 3.2 26.2 1.0
H22 A:ETF208 3.3 50.7 0.8
HO A:ETF208 3.7 50.1 0.8
HB3 A:HIS15 3.8 26.2 1.0
CE1 A:HIS15 3.9 26.2 1.0
CG A:HIS15 3.9 21.8 1.0
HE1 A:HIS15 4.0 31.5 1.0
HG23 A:THR89 4.0 30.9 1.0
CA A:HIS15 4.0 21.8 1.0
CB A:HIS15 4.1 21.8 1.0
O A:HOH336 4.4 39.2 1.0
O A:HIS15 4.5 23.2 1.0
C A:HIS15 4.6 21.7 1.0
HG21 A:THR89 4.6 30.9 1.0
O A:ARG14 4.7 25.7 1.0
CG2 A:THR89 4.8 25.8 1.0
HD22 A:ASN93 5.0 40.3 1.0
OG1 A:THR89 5.0 24.5 1.0
NE2 A:HIS15 5.0 28.5 1.0

Reference:

A.Camara-Artigas, M.C.Salinas-Garcia, M.Plaza-Garrido. Crystal Structure of Lysozyme in Complex with Tfe To Be Published.
Page generated: Fri Aug 2 10:46:57 2024

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