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Fluorine in PDB 6tvl: Hen Egg White Lysozyme in Complex with A "Half Sandwich"-Type Ru(II) Coordination Compound

Enzymatic activity of Hen Egg White Lysozyme in Complex with A "Half Sandwich"-Type Ru(II) Coordination Compound

All present enzymatic activity of Hen Egg White Lysozyme in Complex with A "Half Sandwich"-Type Ru(II) Coordination Compound:
3.2.1.17;

Protein crystallography data

The structure of Hen Egg White Lysozyme in Complex with A "Half Sandwich"-Type Ru(II) Coordination Compound, PDB code: 6tvl was solved by L.Chiniadis, P.Giastas, I.Bratsos, A.Papakyriakou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.45 / 1.40
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 79.270, 79.270, 35.910, 90.00, 90.00, 90.00
R / Rfree (%) 22.1 / 24.3

Other elements in 6tvl:

The structure of Hen Egg White Lysozyme in Complex with A "Half Sandwich"-Type Ru(II) Coordination Compound also contains other interesting chemical elements:

Ruthenium (Ru) 1 atom
Chlorine (Cl) 1 atom
Sodium (Na) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Hen Egg White Lysozyme in Complex with A "Half Sandwich"-Type Ru(II) Coordination Compound (pdb code 6tvl). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Hen Egg White Lysozyme in Complex with A "Half Sandwich"-Type Ru(II) Coordination Compound, PDB code: 6tvl:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 6tvl

Go back to Fluorine Binding Sites List in 6tvl
Fluorine binding site 1 out of 3 in the Hen Egg White Lysozyme in Complex with A "Half Sandwich"-Type Ru(II) Coordination Compound


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Hen Egg White Lysozyme in Complex with A "Half Sandwich"-Type Ru(II) Coordination Compound within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F204

b:56.4
occ:0.91
 FAC A:TFS204 0.0 56.4 0.9
CAD A:TFS204 1.4 54.0 0.9
FAA A:TFS204 2.1 55.3 0.9
FAG A:TFS204 2.2 55.0 0.9
SAE A:TFS204 2.8 44.3 0.9
OAH A:TFS204 3.1 55.5 0.9
OAB A:TFS204 3.2 55.0 0.9
OAF A:TFS204 4.1 51.9 0.9
CH2 A:TRP123 4.3 33.5 1.0
CZ2 A:TRP123 4.5 31.0 1.0
CZ3 A:TRP123 4.8 32.5 1.0
CE2 A:TRP123 5.0 31.2 1.0

Fluorine binding site 2 out of 3 in 6tvl

Go back to Fluorine Binding Sites List in 6tvl
Fluorine binding site 2 out of 3 in the Hen Egg White Lysozyme in Complex with A "Half Sandwich"-Type Ru(II) Coordination Compound


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Hen Egg White Lysozyme in Complex with A "Half Sandwich"-Type Ru(II) Coordination Compound within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F204

b:55.0
occ:0.91
 FAG A:TFS204 0.0 55.0 0.9
CAD A:TFS204 1.4 54.0 0.9
FAA A:TFS204 2.2 55.3 0.9
FAC A:TFS204 2.2 56.4 0.9
SAE A:TFS204 2.8 44.3 0.9
OAH A:TFS204 3.2 55.5 0.9
OAF A:TFS204 3.3 51.9 0.9
OAB A:TFS204 4.0 55.0 0.9
O A:HOH398 4.6 28.8 1.0
CH2 A:TRP123 4.8 33.5 1.0
CZ3 A:TRP123 4.9 32.5 1.0

Fluorine binding site 3 out of 3 in 6tvl

Go back to Fluorine Binding Sites List in 6tvl
Fluorine binding site 3 out of 3 in the Hen Egg White Lysozyme in Complex with A "Half Sandwich"-Type Ru(II) Coordination Compound


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Hen Egg White Lysozyme in Complex with A "Half Sandwich"-Type Ru(II) Coordination Compound within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F204

b:55.3
occ:0.91
 FAA A:TFS204 0.0 55.3 0.9
CAD A:TFS204 1.3 54.0 0.9
FAC A:TFS204 2.1 56.4 0.9
FAG A:TFS204 2.2 55.0 0.9
SAE A:TFS204 2.7 44.3 0.9
OAB A:TFS204 3.1 55.0 0.9
OAF A:TFS204 3.5 51.9 0.9
OAH A:TFS204 3.9 55.5 0.9

Reference:

L.Chiniadis, I.Bratsos, K.Bethanis, M.Karpusas, P.Giastas, A.Papakyriakou. High-Resolution Crystal Structures of A "Half Sandwich"-Type Ru(II) Coordination Compound Bound to Hen Egg-White Lysozyme and Proteinase K. J.Biol.Inorg.Chem. 2020.
ISSN: ESSN 1432-1327
PubMed: 32266561
DOI: 10.1007/S00775-020-01786-Z
Page generated: Fri Aug 2 02:16:31 2024

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