Fluorine in PDB 7ol8: Crystal Structure of Lysozyme in Complex with Trifluoroethanol: Orthorhombic Form

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

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

Protein crystallography data

The structure of Crystal Structure of Lysozyme in Complex with Trifluoroethanol: Orthorhombic Form, PDB code: 7ol8 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) 19.34 / 1.15
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 29.981, 54.867, 65.434, 90, 90, 90
R / Rfree (%) 15.5 / 18.2

Other elements in 7ol8:

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

Chlorine (Cl) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Lysozyme in Complex with Trifluoroethanol: Orthorhombic Form (pdb code 7ol8). 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: Orthorhombic Form, PDB code: 7ol8:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 7ol8

Go back to Fluorine Binding Sites List in 7ol8
Fluorine binding site 1 out of 6 in the Crystal Structure of Lysozyme in Complex with Trifluoroethanol: Orthorhombic 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: Orthorhombic Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F201

b:17.8
occ:0.57
 F1 A:ETF201 0.0 17.8 0.6
C1 A:ETF201 1.4 17.0 0.6
F3 A:ETF201 2.2 21.2 0.6
F2 A:ETF201 2.3 15.8 0.6
C2 A:ETF201 2.3 21.0 0.6
H22 A:ETF201 2.5 25.1 0.6
H21 A:ETF201 2.6 25.1 0.6
HG21 A:ILE98 2.9 13.4 1.0
HD13 A:ILE98 3.0 14.6 1.0
HB1 A:ALA107 3.0 16.2 1.0
HB3 A:ALA107 3.0 16.2 1.0
CB A:ALA107 3.4 13.5 1.0
CE2 A:TRP108 3.4 9.5 1.0
NE1 A:TRP108 3.5 10.4 1.0
O A:ALA107 3.5 11.7 1.0
O A:ETF201 3.6 23.6 0.6
CD2 A:TRP108 3.6 10.2 1.0
C A:ALA107 3.6 11.0 1.0
CD1 A:TRP108 3.6 11.1 1.0
HA A:TRP108 3.6 11.7 1.0
CG A:TRP108 3.7 10.2 1.0
HE1 A:TRP108 3.8 12.5 1.0
N A:TRP108 3.8 10.2 1.0
CG2 A:ILE98 3.9 11.1 1.0
CD1 A:ILE98 3.9 12.2 1.0
HD1 A:TRP108 4.0 13.3 1.0
CZ2 A:TRP108 4.1 10.4 1.0
HD12 A:ILE98 4.1 14.6 1.0
CA A:TRP108 4.1 9.8 1.0
CA A:ALA107 4.2 11.4 1.0
H A:TRP108 4.2 12.3 1.0
HG23 A:ILE98 4.2 13.4 1.0
HG22 A:ILE98 4.2 13.4 1.0
HO A:ETF201 4.2 28.3 0.6
HB2 A:ALA107 4.3 16.2 1.0
CE3 A:TRP108 4.3 10.9 1.0
HA A:ILE58 4.3 12.1 1.0
HE1 A:TRP63 4.3 18.9 1.0
HZ2 A:TRP108 4.4 12.5 1.0
HD11 A:ILE98 4.4 14.6 1.0
CB A:TRP108 4.5 10.3 1.0
NE1 A:TRP63 4.6 15.7 1.0
CH2 A:TRP108 4.6 10.5 1.0
HG12 A:ILE98 4.7 12.6 1.0
H A:ASN59 4.7 12.1 1.0
CG1 A:ILE98 4.7 10.5 1.0
HE3 A:TRP108 4.7 13.0 1.0
CZ3 A:TRP108 4.7 10.5 1.0
HD13 A:ILE58 4.7 19.6 1.0
HD12 A:ILE58 4.8 19.6 1.0
HA A:ALA107 4.8 13.7 1.0
HD1 A:TRP63 4.8 19.2 1.0
CB A:ILE98 4.8 10.2 1.0
O A:GLN57 4.9 11.3 1.0
CD1 A:TRP63 4.9 16.0 1.0
HB A:ILE98 5.0 12.3 1.0

Fluorine binding site 2 out of 6 in 7ol8

Go back to Fluorine Binding Sites List in 7ol8
Fluorine binding site 2 out of 6 in the Crystal Structure of Lysozyme in Complex with Trifluoroethanol: Orthorhombic 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: Orthorhombic Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F201

b:15.8
occ:0.57
 F2 A:ETF201 0.0 15.8 0.6
C1 A:ETF201 1.4 17.0 0.6
F3 A:ETF201 2.1 21.2 0.6
F1 A:ETF201 2.3 17.8 0.6
H A:ASN59 2.4 12.1 1.0
C2 A:ETF201 2.4 21.0 0.6
HA A:ILE58 2.5 12.1 1.0
H21 A:ETF201 2.7 25.1 0.6
HD13 A:ILE98 2.8 14.6 1.0
O A:ETF201 2.9 23.6 0.6
HD1 A:TRP63 3.0 19.2 1.0
N A:ASN59 3.2 10.1 1.0
H22 A:ETF201 3.3 25.1 0.6
CD1 A:TRP63 3.4 16.0 1.0
HG23 A:ILE58 3.4 14.1 1.0
CA A:ILE58 3.4 10.1 1.0
HB3 A:ASN59 3.6 16.7 1.0
HB2 A:ASN59 3.6 16.7 1.0
CD1 A:ILE98 3.6 12.2 1.0
HD11 A:ILE98 3.6 14.6 1.0
HD12 A:ILE58 3.7 19.6 1.0
HE1 A:TRP63 3.7 18.9 1.0
HO A:ETF201 3.8 28.3 0.6
NE1 A:TRP63 3.8 15.7 1.0
C A:ILE58 3.8 10.1 1.0
O A:GLN57 3.8 11.3 1.0
HD13 A:ILE58 3.9 19.6 1.0
CB A:ASN59 3.9 13.9 1.0
HG21 A:ILE98 4.1 13.4 1.0
HD12 A:ILE98 4.1 14.6 1.0
CA A:ASN59 4.2 11.0 1.0
CG2 A:ILE58 4.2 11.8 1.0
CG A:TRP63 4.2 13.0 1.0
CD1 A:ILE58 4.2 16.3 1.0
CB A:ILE58 4.3 11.9 1.0
N A:ILE58 4.4 9.7 1.0
HB2 A:TRP63 4.4 16.2 1.0
HG22 A:ILE58 4.4 14.1 1.0
HE1 A:TRP108 4.4 12.5 1.0
HB1 A:ALA107 4.4 16.2 1.0
C A:GLN57 4.5 9.8 1.0
HG12 A:ILE98 4.5 12.6 1.0
NE1 A:TRP108 4.6 10.4 1.0
CG1 A:ILE98 4.7 10.5 1.0
CE2 A:TRP63 4.7 13.7 1.0
CB A:TRP63 4.8 13.5 1.0
HA A:ASN59 4.8 13.2 1.0
CG1 A:ILE58 4.9 16.5 1.0
CE2 A:TRP108 4.9 9.5 1.0
CD2 A:TRP63 4.9 11.6 1.0
CD1 A:TRP108 5.0 11.1 1.0
HB3 A:ALA107 5.0 16.2 1.0
O A:ASN59 5.0 14.1 1.0
HG21 A:ILE58 5.0 14.1 1.0

Fluorine binding site 3 out of 6 in 7ol8

Go back to Fluorine Binding Sites List in 7ol8
Fluorine binding site 3 out of 6 in the Crystal Structure of Lysozyme in Complex with Trifluoroethanol: Orthorhombic 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: Orthorhombic Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F201

b:21.2
occ:0.57
 F3 A:ETF201 0.0 21.2 0.6
C1 A:ETF201 1.3 17.0 0.6
F2 A:ETF201 2.1 15.8 0.6
F1 A:ETF201 2.2 17.8 0.6
C2 A:ETF201 2.4 21.0 0.6
H22 A:ETF201 2.7 25.1 0.6
O A:ETF201 2.8 23.6 0.6
HB1 A:ALA107 2.9 16.2 1.0
HE1 A:TRP63 3.1 18.9 1.0
H21 A:ETF201 3.3 25.1 0.6
O A:ALA107 3.3 11.7 1.0
HB3 A:ASN59 3.5 16.7 1.0
HD1 A:TRP63 3.5 19.2 1.0
HB2 A:ASN59 3.5 16.7 1.0
NE1 A:TRP63 3.6 15.7 1.0
HO A:ETF201 3.6 28.3 0.6
CB A:ALA107 3.7 13.5 1.0
H A:ASN59 3.8 12.1 1.0
CD1 A:TRP63 3.8 16.0 1.0
HB3 A:ALA107 3.9 16.2 1.0
CB A:ASN59 4.0 13.9 1.0
C A:ALA107 4.0 11.0 1.0
HD13 A:ILE98 4.1 14.6 1.0
HG21 A:ILE98 4.4 13.4 1.0
HB2 A:ALA107 4.4 16.2 1.0
CA A:ALA107 4.4 11.4 1.0
O A:HOH357 4.4 26.1 1.0
N A:ASN59 4.4 10.1 1.0
HA A:ILE58 4.5 12.1 1.0
HA A:TRP108 4.5 11.7 1.0
HA A:ALA107 4.6 13.7 1.0
CE2 A:TRP63 4.7 13.7 1.0
N A:TRP108 4.8 10.2 1.0
CA A:ASN59 4.9 11.0 1.0
O A:GLN57 4.9 11.3 1.0
HD1 A:TRP62 4.9 35.3 1.0

Fluorine binding site 4 out of 6 in 7ol8

Go back to Fluorine Binding Sites List in 7ol8
Fluorine binding site 4 out of 6 in the Crystal Structure of Lysozyme in Complex with Trifluoroethanol: Orthorhombic 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: Orthorhombic Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F202

b:44.1
occ:0.89
 F1 A:ETF202 0.0 44.1 0.9
C1 A:ETF202 1.4 43.6 0.9
F2 A:ETF202 2.2 45.6 0.9
F3 A:ETF202 2.2 45.4 0.9
C2 A:ETF202 2.4 40.9 0.9
H22 A:ETF202 2.4 49.1 0.9
H21 A:ETF202 3.0 49.1 0.9
O A:ETF202 3.5 38.5 0.9
HO A:ETF202 3.9 46.2 0.9
HE A:ARG61 4.6 30.2 1.0
HH21 A:ARG61 4.8 32.1 0.7
O A:HOH316 5.0 39.6 1.0

Fluorine binding site 5 out of 6 in 7ol8

Go back to Fluorine Binding Sites List in 7ol8
Fluorine binding site 5 out of 6 in the Crystal Structure of Lysozyme in Complex with Trifluoroethanol: Orthorhombic 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: Orthorhombic Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F202

b:45.6
occ:0.89
 F2 A:ETF202 0.0 45.6 0.9
C1 A:ETF202 1.4 43.6 0.9
F1 A:ETF202 2.2 44.1 0.9
F3 A:ETF202 2.2 45.4 0.9
C2 A:ETF202 2.4 40.9 0.9
H21 A:ETF202 2.4 49.1 0.9
H22 A:ETF202 3.2 49.1 0.9
O A:ETF202 3.2 38.5 0.9
HE A:ARG61 3.6 30.2 1.0
HH21 A:ARG61 3.9 32.1 0.7
HO A:ETF202 4.1 46.2 0.9
HG2 A:ARG61 4.4 27.2 1.0
NE A:ARG61 4.4 25.2 1.0
NH2 A:ARG61 4.7 26.7 1.0

Fluorine binding site 6 out of 6 in 7ol8

Go back to Fluorine Binding Sites List in 7ol8
Fluorine binding site 6 out of 6 in the Crystal Structure of Lysozyme in Complex with Trifluoroethanol: Orthorhombic 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: Orthorhombic Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F202

b:45.4
occ:0.89
 F3 A:ETF202 0.0 45.4 0.9
C1 A:ETF202 1.4 43.6 0.9
F1 A:ETF202 2.2 44.1 0.9
F2 A:ETF202 2.2 45.6 0.9
C2 A:ETF202 2.4 40.9 0.9
HE A:ARG61 2.4 30.2 1.0
O A:ETF202 2.6 38.5 0.9
H22 A:ETF202 3.0 49.1 0.9
HH21 A:ARG61 3.2 32.1 0.7
H21 A:ETF202 3.2 49.1 0.9
HO A:ETF202 3.2 46.2 0.9
NE A:ARG61 3.3 25.2 1.0
HG2 A:ARG61 3.6 27.2 1.0
HG3 A:ARG61 3.7 27.2 1.0
NH2 A:ARG61 3.8 26.7 1.0
CG A:ARG61 4.0 22.6 1.0
CZ A:ARG61 4.0 24.4 1.0
CD A:ARG61 4.2 22.7 1.0
HH22 A:ARG61 4.6 32.1 0.7
HD2 A:ARG61 4.8 27.2 1.0
HD3 A:ARG61 4.8 27.2 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 10:47:00 2024

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