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Fluorine in PDB 2q0m: Tricarbonylmanganese(I)-Lysozyme Complex : A Structurally Characterized Organometallic Protein

Enzymatic activity of Tricarbonylmanganese(I)-Lysozyme Complex : A Structurally Characterized Organometallic Protein

All present enzymatic activity of Tricarbonylmanganese(I)-Lysozyme Complex : A Structurally Characterized Organometallic Protein:
3.2.1.17;

Protein crystallography data

The structure of Tricarbonylmanganese(I)-Lysozyme Complex : A Structurally Characterized Organometallic Protein, PDB code: 2q0m was solved by M.Razavet, V.Artero, C.Cavazza, Y.Oudart, J.C.Fontecilla-Camps, M.Fontecave, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 15.00 / 1.70
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 79.542, 79.542, 36.392, 90.00, 90.00, 90.00
R / Rfree (%) 20.6 / 24.9

Other elements in 2q0m:

The structure of Tricarbonylmanganese(I)-Lysozyme Complex : A Structurally Characterized Organometallic Protein also contains other interesting chemical elements:

Manganese (Mn) 1 atom
Chlorine (Cl) 1 atom
Sodium (Na) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Tricarbonylmanganese(I)-Lysozyme Complex : A Structurally Characterized Organometallic Protein (pdb code 2q0m). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Tricarbonylmanganese(I)-Lysozyme Complex : A Structurally Characterized Organometallic Protein, PDB code: 2q0m:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 2q0m

Go back to Fluorine Binding Sites List in 2q0m
Fluorine binding site 1 out of 3 in the Tricarbonylmanganese(I)-Lysozyme Complex : A Structurally Characterized Organometallic Protein


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Tricarbonylmanganese(I)-Lysozyme Complex : A Structurally Characterized Organometallic Protein within 5.0Å range:
probe atom residue distance (Å) B Occ
X:F136

b:22.5
occ:0.70
FAC X:TFS136 0.0 22.5 0.7
CAD X:TFS136 1.3 21.7 0.7
FAG X:TFS136 2.1 19.4 0.7
FAA X:TFS136 2.1 22.3 0.7
SAE X:TFS136 2.5 22.8 0.7
OAB X:TFS136 2.8 21.7 0.7
OAH X:TFS136 3.1 22.6 0.7
NE1 X:TRP108 3.1 17.9 1.0
CE2 X:TRP108 3.3 17.1 1.0
CD1 X:ILE98 3.4 16.7 1.0
CZ2 X:TRP108 3.6 17.4 1.0
OAF X:TFS136 3.7 22.4 0.7
CG2 X:ILE98 3.8 20.0 1.0
CD1 X:TRP108 3.8 17.6 1.0
CG1 X:ILE58 3.9 19.9 1.0
CA X:ILE58 4.0 18.2 1.0
CD2 X:TRP108 4.1 17.9 1.0
O X:LEU56 4.4 15.7 1.0
CG X:TRP108 4.4 17.4 1.0
CB X:ILE58 4.4 18.1 1.0
CG1 X:ILE98 4.4 18.1 1.0
O X:GLN57 4.4 16.4 1.0
CH2 X:TRP108 4.5 18.1 1.0
CB X:ILE98 4.6 19.5 1.0
NE1 X:TRP63 4.6 20.6 1.0
N X:ILE58 4.7 17.4 1.0
CD1 X:TRP63 4.7 20.7 1.0
N X:ASN59 4.7 19.4 1.0
CG2 X:ILE58 4.7 20.4 1.0
O X:ALA107 4.8 20.5 1.0
C X:GLN57 4.8 16.8 1.0
CB X:ALA107 4.9 19.1 1.0
CE3 X:TRP108 4.9 17.7 1.0
C X:ILE58 5.0 18.9 1.0

Fluorine binding site 2 out of 3 in 2q0m

Go back to Fluorine Binding Sites List in 2q0m
Fluorine binding site 2 out of 3 in the Tricarbonylmanganese(I)-Lysozyme Complex : A Structurally Characterized Organometallic Protein


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Tricarbonylmanganese(I)-Lysozyme Complex : A Structurally Characterized Organometallic Protein within 5.0Å range:
probe atom residue distance (Å) B Occ
X:F136

b:19.4
occ:0.70
FAG X:TFS136 0.0 19.4 0.7
CAD X:TFS136 1.3 21.7 0.7
FAA X:TFS136 2.1 22.3 0.7
FAC X:TFS136 2.1 22.5 0.7
SAE X:TFS136 2.5 22.8 0.7
OAF X:TFS136 2.8 22.4 0.7
O X:HOH166 3.0 27.8 1.0
OAB X:TFS136 3.0 21.7 0.7
CD1 X:TRP108 3.2 17.6 1.0
O X:GLN57 3.2 16.4 1.0
NE1 X:TRP108 3.2 17.9 1.0
O X:HOH159 3.4 24.1 1.0
OAH X:TFS136 3.7 22.6 0.7
O X:LEU56 3.8 15.7 1.0
CG X:TRP108 4.0 17.4 1.0
O X:ALA107 4.0 20.5 1.0
C X:GLN57 4.0 16.8 1.0
CE2 X:TRP108 4.0 17.1 1.0
CA X:ILE58 4.2 18.2 1.0
O X:HOH176 4.3 34.2 1.0
CA X:TRP108 4.4 18.4 1.0
CD2 X:TRP108 4.4 17.9 1.0
N X:ILE58 4.5 17.4 1.0
C X:ALA107 4.6 18.9 1.0
N X:ASN59 4.7 19.4 1.0
CB X:TRP108 4.8 18.2 1.0
N X:TRP108 4.8 18.7 1.0
CZ2 X:TRP108 4.9 17.4 1.0
C X:ILE58 5.0 18.9 1.0

Fluorine binding site 3 out of 3 in 2q0m

Go back to Fluorine Binding Sites List in 2q0m
Fluorine binding site 3 out of 3 in the Tricarbonylmanganese(I)-Lysozyme Complex : A Structurally Characterized Organometallic Protein


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Tricarbonylmanganese(I)-Lysozyme Complex : A Structurally Characterized Organometallic Protein within 5.0Å range:
probe atom residue distance (Å) B Occ
X:F136

b:22.3
occ:0.70
FAA X:TFS136 0.0 22.3 0.7
CAD X:TFS136 1.3 21.7 0.7
FAG X:TFS136 2.1 19.4 0.7
FAC X:TFS136 2.1 22.5 0.7
SAE X:TFS136 2.5 22.8 0.7
O X:ALA107 2.7 20.5 1.0
OAH X:TFS136 2.9 22.6 0.7
C X:ALA107 2.9 18.9 1.0
OAF X:TFS136 3.0 22.4 0.7
N X:TRP108 3.2 18.7 1.0
CD1 X:TRP108 3.3 17.6 1.0
CG X:TRP108 3.3 17.4 1.0
CD2 X:TRP108 3.3 17.9 1.0
NE1 X:TRP108 3.3 17.9 1.0
CB X:ALA107 3.4 19.1 1.0
CE2 X:TRP108 3.4 17.1 1.0
CA X:TRP108 3.5 18.4 1.0
OAB X:TFS136 3.7 21.7 0.7
CA X:ALA107 3.7 19.1 1.0
O X:HOH159 3.9 24.1 1.0
CB X:TRP108 4.0 18.2 1.0
CE3 X:TRP108 4.0 17.7 1.0
CZ2 X:TRP108 4.1 17.4 1.0
CG2 X:ILE98 4.1 20.0 1.0
CZ3 X:TRP108 4.7 18.5 1.0
CH2 X:TRP108 4.7 18.1 1.0
O X:HOH166 4.7 27.8 1.0
C X:TRP108 4.9 18.8 1.0
N X:ALA107 4.9 18.9 1.0

Reference:

M.Razavet, V.Artero, C.Cavazza, Y.Oudart, C.Lebrun, J.C.Fontecilla-Camps, M.Fontecave. Tricarbonylmanganese(I)-Lysozyme Complex: A Structurally Characterized Organometallic Protein Chem.Commun.(Camb.) 2805 2007.
ISSN: ESSN 1364-548X
PubMed: 17609782
DOI: 10.1039/B703887A
Page generated: Sun Dec 13 11:39:11 2020

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