Chlorine in PDB 6rhu: Single Crystal Serial Study of the Inhibition of Laccases From Steccherinum Murashkinskyi By Chloride Anions at Sub-Atomic Resolution. Second Structure of the Series with 165 Kgy Dose.

Enzymatic activity of Single Crystal Serial Study of the Inhibition of Laccases From Steccherinum Murashkinskyi By Chloride Anions at Sub-Atomic Resolution. Second Structure of the Series with 165 Kgy Dose.

All present enzymatic activity of Single Crystal Serial Study of the Inhibition of Laccases From Steccherinum Murashkinskyi By Chloride Anions at Sub-Atomic Resolution. Second Structure of the Series with 165 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 Chloride Anions at Sub-Atomic Resolution. Second Structure of the Series with 165 Kgy Dose., PDB code: 6rhu 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) 67.19 / 0.96
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 56.070, 83.980, 111.980, 90.00, 90.00, 90.00
R / Rfree (%) 12.2 / 13.2

Other elements in 6rhu:

The structure of Single Crystal Serial Study of the Inhibition of Laccases From Steccherinum Murashkinskyi By Chloride Anions at Sub-Atomic Resolution. Second Structure of the Series with 165 Kgy Dose. also contains other interesting chemical elements:

Copper (Cu) 7 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Single Crystal Serial Study of the Inhibition of Laccases From Steccherinum Murashkinskyi By Chloride Anions at Sub-Atomic Resolution. Second Structure of the Series with 165 Kgy Dose. (pdb code 6rhu). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Single Crystal Serial Study of the Inhibition of Laccases From Steccherinum Murashkinskyi By Chloride Anions at Sub-Atomic Resolution. Second Structure of the Series with 165 Kgy Dose., PDB code: 6rhu:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 6rhu

Go back to Chlorine Binding Sites List in 6rhu
Chlorine binding site 1 out of 2 in the Single Crystal Serial Study of the Inhibition of Laccases From Steccherinum Murashkinskyi By Chloride Anions at Sub-Atomic Resolution. Second Structure of the Series with 165 Kgy Dose.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Single Crystal Serial Study of the Inhibition of Laccases From Steccherinum Murashkinskyi By Chloride Anions at Sub-Atomic Resolution. Second Structure of the Series with 165 Kgy Dose. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl509

b:12.1
occ:0.15
CL A:CL509 0.0 12.1 0.1
O A:HOH1003 0.2 9.4 0.2
CL A:CL509 0.5 11.2 0.3
O A:HOH1003 0.6 9.9 0.3
H A:GLY68 1.9 1.4 1.0
CU A:CU503 2.4 7.0 0.5
CU A:CU503 2.4 7.1 0.3
HA A:HIS402 2.6 14.4 1.0
O A:HOH861 2.6 10.0 1.0
O A:HOH1012 2.7 12.2 1.0
HE1 A:HIS65 2.8 16.5 1.0
N A:GLY68 2.9 5.7 1.0
HE1 A:HIS400 3.0 2.4 1.0
H A:GLY403 3.1 11.2 1.0
NE2 A:HIS65 3.2 7.5 1.0
HA2 A:GLY68 3.2 2.2 1.0
CE1 A:HIS65 3.3 6.9 1.0
NE2 A:HIS400 3.3 7.2 1.0
HA A:HIS67 3.3 1.4 1.0
CE1 A:HIS400 3.5 6.6 1.0
CA A:GLY68 3.5 5.8 1.0
CA A:HIS402 3.5 6.1 1.0
H A:LEU69 3.9 3.9 1.0
N A:GLY403 3.9 6.3 1.0
C A:HIS67 4.0 5.9 1.0
HB3 A:HIS402 4.0 3.3 1.0
C A:GLY68 4.0 5.6 1.0
CA A:HIS67 4.1 5.6 1.0
CB A:HIS402 4.1 6.2 1.0
N A:LEU69 4.1 5.9 1.0
O A:TRP66 4.1 6.0 1.0
O A:LEU69 4.1 7.1 1.0
CG A:HIS402 4.1 6.1 1.0
O A:LEU401 4.2 6.8 1.0
C A:HIS402 4.3 6.0 1.0
HA3 A:GLY68 4.4 2.2 1.0
O A:HOH605 4.4 6.6 0.5
CD2 A:HIS402 4.5 6.3 1.0
N A:HIS402 4.5 5.8 1.0
CD2 A:HIS65 4.5 7.7 1.0
H A:HIS404 4.6 2.1 1.0
ND1 A:HIS65 4.6 6.8 1.0
ND1 A:HIS402 4.6 6.2 1.0
HD2 A:HIS402 4.6 3.2 1.0
CD2 A:HIS400 4.6 6.8 1.0
OD1 A:ASP78 4.7 6.8 1.0
C A:LEU401 4.7 6.0 1.0
ND1 A:HIS400 4.8 6.5 1.0
HD1 A:HIS402 4.8 3.2 1.0
O A:GLY68 4.9 6.6 1.0
CG A:HIS67 4.9 6.2 1.0
C A:LEU69 4.9 6.4 1.0
CD2 A:HIS67 4.9 6.3 1.0
C A:TRP66 5.0 5.8 1.0

Chlorine binding site 2 out of 2 in 6rhu

Go back to Chlorine Binding Sites List in 6rhu
Chlorine binding site 2 out of 2 in the Single Crystal Serial Study of the Inhibition of Laccases From Steccherinum Murashkinskyi By Chloride Anions at Sub-Atomic Resolution. Second Structure of the Series with 165 Kgy Dose.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Single Crystal Serial Study of the Inhibition of Laccases From Steccherinum Murashkinskyi By Chloride Anions at Sub-Atomic Resolution. Second Structure of the Series with 165 Kgy Dose. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl509

b:11.2
occ:0.30
CL A:CL509 0.0 11.2 0.3
O A:HOH1003 0.1 9.9 0.3
CL A:CL509 0.5 12.1 0.1
O A:HOH1003 0.6 9.4 0.2
H A:GLY68 1.9 1.4 1.0
CU A:CU503 2.0 7.0 0.5
CU A:CU503 2.0 7.1 0.3
HA A:HIS402 2.7 14.4 1.0
HE1 A:HIS400 2.8 2.4 1.0
NE2 A:HIS400 2.9 7.2 1.0
N A:GLY68 2.9 5.7 1.0
HE1 A:HIS65 2.9 16.5 1.0
O A:HOH1012 2.9 12.2 1.0
NE2 A:HIS65 3.0 7.5 1.0
O A:HOH861 3.0 10.0 1.0
CE1 A:HIS400 3.1 6.6 1.0
HA A:HIS67 3.1 1.4 1.0
CE1 A:HIS65 3.2 6.9 1.0
HA2 A:GLY68 3.3 2.2 1.0
H A:GLY403 3.5 11.2 1.0
CA A:GLY68 3.6 5.8 1.0
CA A:HIS402 3.6 6.1 1.0
C A:HIS67 3.9 5.9 1.0
CA A:HIS67 3.9 5.6 1.0
O A:HOH605 4.0 6.6 0.5
CG A:HIS402 4.1 6.1 1.0
HB3 A:HIS402 4.1 3.3 1.0
H A:LEU69 4.1 3.9 1.0
CB A:HIS402 4.1 6.2 1.0
O A:LEU401 4.2 6.8 1.0
CD2 A:HIS400 4.2 6.8 1.0
CD2 A:HIS402 4.2 6.3 1.0
O A:TRP66 4.2 6.0 1.0
C A:GLY68 4.3 5.6 1.0
N A:GLY403 4.3 6.3 1.0
CD2 A:HIS65 4.3 7.7 1.0
HD2 A:HIS402 4.3 3.2 1.0
HA3 A:GLY68 4.4 2.2 1.0
N A:LEU69 4.4 5.9 1.0
ND1 A:HIS400 4.4 6.5 1.0
N A:HIS402 4.4 5.8 1.0
CG A:HIS67 4.5 6.2 1.0
C A:HIS402 4.5 6.0 1.0
ND1 A:HIS402 4.5 6.2 1.0
ND1 A:HIS65 4.5 6.8 1.0
CD2 A:HIS67 4.6 6.3 1.0
O A:LEU69 4.6 7.1 1.0
C A:LEU401 4.7 6.0 1.0
HD2 A:HIS400 4.7 2.4 1.0
CB A:HIS67 4.7 6.2 1.0
HD2 A:HIS65 4.7 16.6 1.0
ND1 A:HIS67 4.8 7.0 1.0
HD2 A:HIS67 4.8 2.1 1.0
NE2 A:HIS402 4.8 6.5 1.0
HD1 A:HIS402 4.8 3.2 1.0
H A:HIS404 4.9 2.1 1.0
NE2 A:HIS67 4.9 6.8 1.0
N A:HIS67 4.9 5.7 1.0
CE1 A:HIS402 5.0 6.7 1.0
OD1 A:ASP78 5.0 6.8 1.0
CG A:HIS400 5.0 6.7 1.0
CE1 A:HIS67 5.0 6.4 1.0
C A:TRP66 5.0 5.8 1.0
HD1 A:HIS400 5.0 2.4 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: Sat Dec 12 13:36:33 2020

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