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Fluorine in PDB 6ekh: Crystal Structure of Activated Chey From Methanoccocus Maripaludis

Protein crystallography data

The structure of Crystal Structure of Activated Chey From Methanoccocus Maripaludis, PDB code: 6ekh was solved by F.Altegoer, G.Bange, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.67 / 2.65
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 71.332, 71.332, 77.115, 90.00, 90.00, 120.00
R / Rfree (%) 28.4 / 31.5

Other elements in 6ekh:

The structure of Crystal Structure of Activated Chey From Methanoccocus Maripaludis also contains other interesting chemical elements:

Magnesium (Mg) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Activated Chey From Methanoccocus Maripaludis (pdb code 6ekh). 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 Activated Chey From Methanoccocus Maripaludis, PDB code: 6ekh:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 6ekh

Go back to Fluorine Binding Sites List in 6ekh
Fluorine binding site 1 out of 3 in the Crystal Structure of Activated Chey From Methanoccocus Maripaludis


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 Activated Chey From Methanoccocus Maripaludis within 5.0Å range:
probe atom residue distance (Å) B Occ
Y:F202

b:63.2
occ:1.00
F1 Y:BEF202 0.0 63.2 1.0
BE Y:BEF202 1.5 59.3 1.0
MG Y:MG201 2.0 63.6 1.0
O Y:HOH302 2.2 60.7 1.0
F3 Y:BEF202 2.5 65.3 1.0
F2 Y:BEF202 2.5 67.0 1.0
OD2 Y:ASP57 2.8 54.9 1.0
OD1 Y:ASP57 2.9 60.4 1.0
CG2 Y:VAL59 3.1 71.6 1.0
CG Y:ASP57 3.2 55.5 1.0
O Y:VAL59 3.3 57.4 1.0
OD1 Y:ASP12 3.7 63.9 1.0
OG Y:SER86 3.7 61.1 1.0
OD2 Y:ASP12 3.9 60.1 1.0
CG Y:ASP12 4.2 61.6 1.0
C Y:VAL59 4.2 61.1 1.0
CB Y:VAL59 4.3 63.7 1.0
N Y:VAL59 4.4 55.0 1.0
O Y:HOH303 4.5 63.3 1.0
CA Y:VAL59 4.5 64.3 1.0
NZ Y:LYS107 4.6 53.3 1.0
CB Y:ASP57 4.7 55.1 1.0
OD1 Y:ASP11 4.9 52.8 1.0
N Y:SER86 5.0 65.7 1.0
CB Y:SER86 5.0 52.6 1.0

Fluorine binding site 2 out of 3 in 6ekh

Go back to Fluorine Binding Sites List in 6ekh
Fluorine binding site 2 out of 3 in the Crystal Structure of Activated Chey From Methanoccocus Maripaludis


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 Activated Chey From Methanoccocus Maripaludis within 5.0Å range:
probe atom residue distance (Å) B Occ
Y:F202

b:67.0
occ:1.00
F2 Y:BEF202 0.0 67.0 1.0
OD1 Y:ASP57 1.5 60.4 1.0
BE Y:BEF202 1.6 59.3 1.0
CG Y:ASP57 2.3 55.5 1.0
F3 Y:BEF202 2.5 65.3 1.0
F1 Y:BEF202 2.5 63.2 1.0
OD2 Y:ASP57 2.7 54.9 1.0
N Y:VAL59 2.9 55.0 1.0
N Y:ILE58 3.0 55.9 1.0
OG1 Y:THR85 3.4 66.0 1.0
C Y:ASP57 3.5 56.8 1.0
CB Y:ASP57 3.5 55.1 1.0
O Y:VAL59 3.6 57.4 1.0
MG Y:MG201 3.6 63.6 1.0
CA Y:ILE58 3.6 64.7 1.0
C Y:ILE58 3.7 63.2 1.0
CG2 Y:VAL59 3.8 71.6 1.0
CB Y:THR85 3.8 66.3 1.0
CA Y:ASP57 3.8 61.9 1.0
CA Y:VAL59 3.9 64.3 1.0
O Y:HOH302 3.9 60.7 1.0
CA Y:THR85 4.0 60.2 1.0
CB Y:ILE58 4.1 67.5 1.0
C Y:VAL59 4.1 61.1 1.0
CB Y:VAL59 4.2 63.7 1.0
N Y:SER86 4.2 65.7 1.0
OG Y:SER86 4.2 61.1 1.0
O Y:ASP57 4.3 53.9 1.0
CG1 Y:VAL59 4.5 57.6 1.0
O Y:CYS84 4.6 62.9 1.0
C Y:THR85 4.7 62.2 1.0
OD1 Y:ASP12 4.8 63.9 1.0
CG1 Y:ILE58 4.9 68.2 1.0
O Y:ILE58 4.9 64.6 1.0

Fluorine binding site 3 out of 3 in 6ekh

Go back to Fluorine Binding Sites List in 6ekh
Fluorine binding site 3 out of 3 in the Crystal Structure of Activated Chey From Methanoccocus Maripaludis


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 Activated Chey From Methanoccocus Maripaludis within 5.0Å range:
probe atom residue distance (Å) B Occ
Y:F202

b:65.3
occ:1.00
F3 Y:BEF202 0.0 65.3 1.0
OD1 Y:ASP57 1.5 60.4 1.0
BE Y:BEF202 1.5 59.3 1.0
CG Y:ASP57 2.2 55.5 1.0
F1 Y:BEF202 2.5 63.2 1.0
F2 Y:BEF202 2.5 67.0 1.0
NZ Y:LYS107 2.6 53.3 1.0
OD2 Y:ASP57 2.7 54.9 1.0
CE Y:LYS107 3.0 60.8 1.0
CB Y:ASP57 3.4 55.1 1.0
OD2 Y:ASP11 3.6 62.1 1.0
MG Y:MG201 3.6 63.6 1.0
CA Y:THR85 3.9 60.2 1.0
O Y:CYS84 3.9 62.9 1.0
OD1 Y:ASP11 4.0 52.8 1.0
O Y:HOH302 4.0 60.7 1.0
N Y:SER86 4.0 65.7 1.0
OG Y:SER86 4.2 61.1 1.0
CG Y:ASP11 4.2 53.8 1.0
CA Y:ASP57 4.2 61.9 1.0
OD1 Y:ASP12 4.2 63.9 1.0
C Y:THR85 4.4 62.2 1.0
CD Y:LYS107 4.5 57.9 1.0
CB Y:THR85 4.6 66.3 1.0
OG1 Y:THR85 4.6 66.0 1.0
C Y:CYS84 4.7 52.8 1.0
N Y:THR85 4.8 56.4 1.0
N Y:ILE58 4.8 55.9 1.0
C Y:ASP57 4.8 56.8 1.0
O Y:VAL59 4.8 57.4 1.0
CB Y:SER86 5.0 52.6 1.0
O Y:HOH303 5.0 63.3 1.0

Reference:

T.E.F.Quax, F.Altegoer, F.Rossi, Z.Li, M.Rodriguez-Franco, F.Kraus, G.Bange, S.V.Albers. Structure and Function of the Archaeal Response Regulator Chey. Proc. Natl. Acad. Sci. V. 115 E1259 2018U.S.A..
ISSN: ESSN 1091-6490
PubMed: 29358409
DOI: 10.1073/PNAS.1716661115
Page generated: Thu Aug 1 19:36:06 2024

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