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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

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