Atomistry » Fluorine » PDB 5msb-5njh » 5n2n
Atomistry »
  Fluorine »
    PDB 5msb-5njh »
      5n2n »

Fluorine in PDB 5n2n: Crystal Structure of the Receiver Domain of the Histidine Kinase CKI1 From Arabidopsis Thaliana Complexed with MG2+ and BEF3-

Enzymatic activity of Crystal Structure of the Receiver Domain of the Histidine Kinase CKI1 From Arabidopsis Thaliana Complexed with MG2+ and BEF3-

All present enzymatic activity of Crystal Structure of the Receiver Domain of the Histidine Kinase CKI1 From Arabidopsis Thaliana Complexed with MG2+ and BEF3-:
2.7.13.3;

Protein crystallography data

The structure of Crystal Structure of the Receiver Domain of the Histidine Kinase CKI1 From Arabidopsis Thaliana Complexed with MG2+ and BEF3-, PDB code: 5n2n was solved by O.Otrusinova, G.Demo, P.Padrta, Z.Jasenakova, B.Pekarova, Z.Gelova, A.Szmitkowska, P.Kaderavek, S.Jansen, M.Zachrdla, T.Klumpler, J.Marek, J.Hritz, L.Janda, H.Iwai, M.Wimmerova, J.Hejatko, L.Zidek, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.47 / 2.05
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 52.850, 100.152, 80.139, 90.00, 90.00, 90.00
R / Rfree (%) 18.2 / 22.5

Other elements in 5n2n:

The structure of Crystal Structure of the Receiver Domain of the Histidine Kinase CKI1 From Arabidopsis Thaliana Complexed with MG2+ and BEF3- also contains other interesting chemical elements:

Magnesium (Mg) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of the Receiver Domain of the Histidine Kinase CKI1 From Arabidopsis Thaliana Complexed with MG2+ and BEF3- (pdb code 5n2n). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystal Structure of the Receiver Domain of the Histidine Kinase CKI1 From Arabidopsis Thaliana Complexed with MG2+ and BEF3-, PDB code: 5n2n:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 5n2n

Go back to Fluorine Binding Sites List in 5n2n
Fluorine binding site 1 out of 3 in the Crystal Structure of the Receiver Domain of the Histidine Kinase CKI1 From Arabidopsis Thaliana Complexed with MG2+ and BEF3-


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 the Receiver Domain of the Histidine Kinase CKI1 From Arabidopsis Thaliana Complexed with MG2+ and BEF3- within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1202

b:49.8
occ:1.00
F1 A:BEF1202 0.0 49.8 1.0
BE A:BEF1202 1.7 46.1 1.0
MG A:MG1201 1.9 48.0 1.0
OD1 A:ASP1050 2.5 44.5 1.0
O A:GLN1052 2.6 38.3 1.0
O A:HOH1309 2.8 47.8 1.0
F2 A:BEF1202 2.8 48.8 1.0
OD2 A:ASP1050 2.9 42.9 1.0
O A:HOH1305 3.0 45.0 1.0
F3 A:BEF1202 3.0 56.4 1.0
CG A:ASP1050 3.0 43.1 1.0
CB A:GLN1052 3.3 55.0 1.0
C A:GLN1052 3.5 38.6 1.0
N A:GLN1052 3.6 42.0 1.0
CA A:GLN1052 3.6 42.7 1.0
OD1 A:ASP993 4.0 41.4 1.0
NZ A:LYS1105 4.1 72.8 1.0
CG A:GLN1052 4.4 65.1 1.0
CB A:ASP1050 4.6 32.2 1.0
N A:MET1053 4.7 36.9 1.0
N A:CYS1051 4.8 33.2 1.0
C A:CYS1051 4.9 40.3 1.0
CG A:ASP993 5.0 49.7 1.0
OD1 A:ASP992 5.0 41.2 1.0

Fluorine binding site 2 out of 3 in 5n2n

Go back to Fluorine Binding Sites List in 5n2n
Fluorine binding site 2 out of 3 in the Crystal Structure of the Receiver Domain of the Histidine Kinase CKI1 From Arabidopsis Thaliana Complexed with MG2+ and BEF3-


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 the Receiver Domain of the Histidine Kinase CKI1 From Arabidopsis Thaliana Complexed with MG2+ and BEF3- within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1202

b:48.8
occ:1.00
F2 A:BEF1202 0.0 48.8 1.0
BE A:BEF1202 1.7 46.1 1.0
N A:GLN1052 2.6 42.0 1.0
OD1 A:ASP1050 2.6 44.5 1.0
F1 A:BEF1202 2.8 49.8 1.0
F3 A:BEF1202 3.0 56.4 1.0
N A:CYS1051 3.1 33.2 1.0
CB A:GLN1052 3.3 55.0 1.0
CB A:CYS1051 3.3 37.4 1.0
CA A:CYS1051 3.4 34.4 1.0
C A:CYS1051 3.4 40.3 1.0
CA A:GLN1052 3.5 42.7 1.0
CG A:GLN1052 3.5 65.1 1.0
OG A:SER1082 3.5 60.7 1.0
O A:VAL1081 3.6 39.9 1.0
CG A:ASP1050 3.7 43.1 1.0
CA A:SER1082 4.0 44.5 1.0
CB A:SER1082 4.0 51.5 1.0
C A:ASP1050 4.1 36.5 1.0
O A:GLN1052 4.1 38.3 1.0
C A:GLN1052 4.3 38.6 1.0
OD2 A:ASP1050 4.4 42.9 1.0
MG A:MG1201 4.5 48.0 1.0
SG A:CYS1051 4.5 42.3 1.0
C A:VAL1081 4.6 39.0 1.0
CA A:ASP1050 4.6 34.5 1.0
O A:CYS1051 4.6 35.4 1.0
CD A:GLN1052 4.7 77.0 1.0
CB A:ASP1050 4.7 32.2 1.0
N A:SER1082 4.8 48.9 1.0
N A:GLY1083 4.8 51.1 1.0

Fluorine binding site 3 out of 3 in 5n2n

Go back to Fluorine Binding Sites List in 5n2n
Fluorine binding site 3 out of 3 in the Crystal Structure of the Receiver Domain of the Histidine Kinase CKI1 From Arabidopsis Thaliana Complexed with MG2+ and BEF3-


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 the Receiver Domain of the Histidine Kinase CKI1 From Arabidopsis Thaliana Complexed with MG2+ and BEF3- within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1202

b:56.4
occ:1.00
F3 A:BEF1202 0.0 56.4 1.0
BE A:BEF1202 1.7 46.1 1.0
NZ A:LYS1105 2.4 72.8 1.0
OD1 A:ASP1050 2.6 44.5 1.0
F1 A:BEF1202 3.0 49.8 1.0
F2 A:BEF1202 3.0 48.8 1.0
CE A:LYS1105 3.1 89.4 1.0
N A:GLY1083 3.4 51.1 1.0
CA A:SER1082 3.5 44.5 1.0
CG A:ASP1050 3.8 43.1 1.0
C A:SER1082 3.8 41.9 1.0
CD A:LYS1105 3.9 88.0 1.0
O A:VAL1081 3.9 39.9 1.0
CG A:LYS1105 3.9 78.4 1.0
O A:HOH1305 4.0 45.0 1.0
OG A:SER1082 4.3 60.7 1.0
N A:SER1082 4.3 48.9 1.0
CA A:GLY1083 4.4 52.9 1.0
C A:VAL1081 4.4 39.0 1.0
OD2 A:ASP1050 4.4 42.9 1.0
MG A:MG1201 4.4 48.0 1.0
CB A:SER1082 4.5 51.5 1.0
OD2 A:ASP992 4.7 43.7 1.0
O A:SER1082 4.9 41.0 1.0
CB A:ASP1050 4.9 32.2 1.0
N A:CYS1051 5.0 33.2 1.0

Reference:

O.Otrusinova, G.Demo, P.Padrta, Z.Jasenakova, B.Pekarova, Z.Gelova, A.Szmitkowska, P.Kaderavek, S.Jansen, M.Zachrdla, T.Klumpler, J.Marek, J.Hritz, L.Janda, H.Iwai, M.Wimmerova, J.Hejatko, L.Zidek. Conformational Dynamics Are A Key Factor in Signaling Mediated By the Receiver Domain of A Sensor Histidine Kinase From Arabidopsis Thaliana. J. Biol. Chem. V. 292 17525 2017.
ISSN: ESSN 1083-351X
PubMed: 28860196
DOI: 10.1074/JBC.M117.790212
Page generated: Thu Aug 1 11:54:57 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy