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Fluorine in PDB 6rii: Single Crystal Serial Study of the Inhibition of Laccases From Steccherinum Murashkinskyi By Fluoride Anions at Sub-Atomic Resolution. Fourth Structure of the Series with 1200 Kgy Dose.

Enzymatic activity of Single Crystal Serial Study of the Inhibition of Laccases From Steccherinum Murashkinskyi By Fluoride Anions at Sub-Atomic Resolution. Fourth Structure of the Series with 1200 Kgy Dose.

All present enzymatic activity of Single Crystal Serial Study of the Inhibition of Laccases From Steccherinum Murashkinskyi By Fluoride Anions at Sub-Atomic Resolution. Fourth Structure of the Series with 1200 Kgy Dose.:
1.10.3.2;

Protein crystallography data

The structure of Single Crystal Serial Study of the Inhibition of Laccases From Steccherinum Murashkinskyi By Fluoride Anions at Sub-Atomic Resolution. Fourth Structure of the Series with 1200 Kgy Dose., PDB code: 6rii was solved by K.M.Polyakov, S.Gavryushov, T.V.Fedorova, O.A.Glazunova, A.N.Popov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 67.36 / 0.97
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 56.200, 84.220, 112.240, 90.00, 90.00, 90.00
R / Rfree (%) 10.6 / 12.1

Other elements in 6rii:

The structure of Single Crystal Serial Study of the Inhibition of Laccases From Steccherinum Murashkinskyi By Fluoride Anions at Sub-Atomic Resolution. Fourth Structure of the Series with 1200 Kgy Dose. also contains other interesting chemical elements:

Copper (Cu) 7 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Single Crystal Serial Study of the Inhibition of Laccases From Steccherinum Murashkinskyi By Fluoride Anions at Sub-Atomic Resolution. Fourth Structure of the Series with 1200 Kgy Dose. (pdb code 6rii). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Single Crystal Serial Study of the Inhibition of Laccases From Steccherinum Murashkinskyi By Fluoride Anions at Sub-Atomic Resolution. Fourth Structure of the Series with 1200 Kgy Dose., PDB code: 6rii:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 6rii

Go back to Fluorine Binding Sites List in 6rii
Fluorine binding site 1 out of 2 in the Single Crystal Serial Study of the Inhibition of Laccases From Steccherinum Murashkinskyi By Fluoride Anions at Sub-Atomic Resolution. Fourth Structure of the Series with 1200 Kgy Dose.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Single Crystal Serial Study of the Inhibition of Laccases From Steccherinum Murashkinskyi By Fluoride Anions at Sub-Atomic Resolution. Fourth Structure of the Series with 1200 Kgy Dose. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F509

b:12.4
occ:0.63
 F A:F509 0.0 12.4 0.6
O A:HOH845 0.1 8.5 0.2
F A:F509 0.9 7.1 0.2
H A:GLY68 1.8 6.5 1.0
CU A:CU503 2.6 7.7 0.2
CU A:CU503 2.6 6.7 0.6
O A:HOH812 2.7 10.8 1.0
HA A:HIS402 2.7 8.5 1.0
N A:GLY68 2.7 6.5 1.0
HE1 A:HIS65 2.8 8.7 1.0
O A:HOH890 2.9 10.1 1.0
HE1 A:HIS400 3.0 8.0 1.0
HA2 A:GLY68 3.1 7.6 1.0
NE2 A:HIS65 3.2 6.9 1.0
H A:GLY403 3.2 8.5 1.0
CE1 A:HIS65 3.3 6.9 1.0
HA A:HIS67 3.3 6.5 1.0
NE2 A:HIS400 3.3 7.0 1.0
CA A:GLY68 3.4 6.9 1.0
CE1 A:HIS400 3.4 6.8 1.0
CA A:HIS402 3.7 6.8 1.0
C A:HIS67 3.8 6.3 1.0
H A:LEU69 3.9 10.0 1.0
C A:GLY68 3.9 6.4 1.0
CA A:HIS67 4.0 6.2 1.0
HB3 A:HIS402 4.1 8.5 1.0
N A:GLY403 4.1 6.9 1.0
N A:LEU69 4.1 6.5 1.0
O A:TRP66 4.1 6.7 1.0
CG A:HIS402 4.2 6.4 1.0
CB A:HIS402 4.2 6.8 1.0
O A:LEU69 4.2 8.3 1.0
HA3 A:GLY68 4.2 7.6 1.0
O A:LEU401 4.2 7.1 1.0
C A:HIS402 4.4 6.6 1.0
CD2 A:HIS402 4.5 6.6 1.0
ND1 A:HIS65 4.5 6.9 1.0
N A:HIS402 4.6 6.5 1.0
CD2 A:HIS65 4.6 6.9 1.0
ND1 A:HIS402 4.6 6.7 1.0
O A:HOH604 4.7 8.0 0.2
CD2 A:HIS400 4.7 6.8 1.0
HD2 A:HIS402 4.7 8.5 1.0
OD1 A:ASP78 4.7 7.7 1.0
H A:HIS404 4.7 7.6 1.0
ND1 A:HIS400 4.8 6.9 1.0
CG A:HIS67 4.8 6.4 1.0
C A:LEU401 4.8 6.5 1.0
HD1 A:HIS402 4.8 8.5 1.0
O A:GLY68 4.8 7.2 1.0
CD2 A:HIS67 4.8 6.8 1.0
HD2 A:HIS67 4.9 6.7 1.0
C A:LEU69 4.9 7.1 1.0
C A:TRP66 5.0 6.2 1.0
O A:HIS67 5.0 7.4 1.0
N A:HIS67 5.0 6.2 1.0
CB A:HIS67 5.0 6.6 1.0

Fluorine binding site 2 out of 2 in 6rii

Go back to Fluorine Binding Sites List in 6rii
Fluorine binding site 2 out of 2 in the Single Crystal Serial Study of the Inhibition of Laccases From Steccherinum Murashkinskyi By Fluoride Anions at Sub-Atomic Resolution. Fourth Structure of the Series with 1200 Kgy Dose.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Single Crystal Serial Study of the Inhibition of Laccases From Steccherinum Murashkinskyi By Fluoride Anions at Sub-Atomic Resolution. Fourth Structure of the Series with 1200 Kgy Dose. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F509

b:7.1
occ:0.20
 F A:F509 0.0 7.1 0.2
O A:HOH845 0.9 8.5 0.2
F A:F509 0.9 12.4 0.6
CU A:CU503 1.7 7.7 0.2
CU A:CU503 1.7 6.7 0.6
H A:GLY68 1.9 6.5 1.0
NE2 A:HIS400 2.6 7.0 1.0
HE1 A:HIS400 2.6 8.0 1.0
NE2 A:HIS65 2.7 6.9 1.0
HE1 A:HIS65 2.8 8.7 1.0
N A:GLY68 2.9 6.5 1.0
HA A:HIS67 2.9 6.5 1.0
CE1 A:HIS400 2.9 6.8 1.0
HA A:HIS402 2.9 8.5 1.0
CE1 A:HIS65 3.0 6.9 1.0
O A:HOH890 3.3 10.1 1.0
O A:HOH812 3.4 10.8 1.0
HA2 A:GLY68 3.4 7.6 1.0
CA A:HIS67 3.7 6.2 1.0
CA A:GLY68 3.7 6.9 1.0
C A:HIS67 3.7 6.3 1.0
O A:HOH604 3.8 8.0 0.2
CA A:HIS402 3.9 6.8 1.0
CD2 A:HIS400 3.9 6.8 1.0
CD2 A:HIS65 4.0 6.9 1.0
H A:GLY403 4.0 8.5 1.0
CG A:HIS402 4.0 6.4 1.0
CD2 A:HIS402 4.1 6.6 1.0
CG A:HIS67 4.1 6.4 1.0
ND1 A:HIS400 4.2 6.9 1.0
HD2 A:HIS402 4.3 8.5 1.0
CD2 A:HIS67 4.3 6.8 1.0
CB A:HIS402 4.3 6.8 1.0
O A:TRP66 4.3 6.7 1.0
ND1 A:HIS67 4.3 6.4 1.0
O A:LEU401 4.3 7.1 1.0
ND1 A:HIS65 4.3 6.9 1.0
HB3 A:HIS402 4.3 8.5 1.0
H A:LEU69 4.4 10.0 1.0
HD2 A:HIS400 4.4 8.0 1.0
HD2 A:HIS65 4.4 8.7 1.0
ND1 A:HIS402 4.4 6.7 1.0
CB A:HIS67 4.4 6.6 1.0
HA3 A:GLY68 4.4 7.6 1.0
C A:GLY68 4.5 6.4 1.0
NE2 A:HIS67 4.5 6.9 1.0
CE1 A:HIS67 4.5 6.3 1.0
HD2 A:HIS67 4.5 6.7 1.0
NE2 A:HIS402 4.5 6.7 1.0
N A:HIS402 4.6 6.5 1.0
CE1 A:HIS402 4.7 7.0 1.0
N A:LEU69 4.7 6.5 1.0
CG A:HIS400 4.7 6.7 1.0
HB2 A:HIS67 4.7 6.7 1.0
HD1 A:HIS402 4.7 8.5 1.0
N A:GLY403 4.7 6.9 1.0
N A:HIS67 4.8 6.2 1.0
C A:LEU401 4.8 6.5 1.0
CG A:HIS65 4.8 6.8 1.0
HD1 A:HIS400 4.8 8.0 1.0
C A:HIS402 4.9 6.6 1.0
O A:HIS67 4.9 7.4 1.0
O2 A:OXY511 4.9 9.6 0.2
C A:TRP66 4.9 6.2 1.0
HD1 A:HIS65 4.9 8.7 1.0
HE2 A:HIS67 5.0 6.7 1.0

Reference:

K.M.Polyakov, S.Gavryushov, T.V.Fedorova, O.A.Glazunova, A.N.Popov. The Subatomic Resolution Study of Laccase Inhibition By Chloride and Fluoride Anions Using Single-Crystal Serial Crystallography: Insights Into the Enzymatic Reaction Mechanism. Acta Crystallogr D Struct V. 75 804 2019BIOL.
ISSN: ISSN 2059-7983
PubMed: 31478903
DOI: 10.1107/S2059798319010684
Page generated: Fri Aug 2 01:13:20 2024

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