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Fluorine in PDB 6kc6: Hoip-HOIPIN8 Complex

Enzymatic activity of Hoip-HOIPIN8 Complex

All present enzymatic activity of Hoip-HOIPIN8 Complex:
2.3.2.31;

Protein crystallography data

The structure of Hoip-HOIPIN8 Complex, PDB code: 6kc6 was solved by Y.Sato, S.Fukai, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.59 / 2.12
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 151.586, 88.793, 104.438, 90.00, 101.08, 90.00
R / Rfree (%) 21.1 / 26.7

Other elements in 6kc6:

The structure of Hoip-HOIPIN8 Complex also contains other interesting chemical elements:

Chlorine (Cl) 9 atoms
Zinc (Zn) 24 atoms

Fluorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Fluorine atom in the Hoip-HOIPIN8 Complex (pdb code 6kc6). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 12 binding sites of Fluorine where determined in the Hoip-HOIPIN8 Complex, PDB code: 6kc6:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 12 in 6kc6

Go back to Fluorine Binding Sites List in 6kc6
Fluorine binding site 1 out of 12 in the Hoip-HOIPIN8 Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Hoip-HOIPIN8 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1105

b:58.6
occ:1.00
F1 A:D601105 0.0 58.6 1.0
C19 A:D601105 1.3 51.3 1.0
C20 A:D601105 2.3 45.1 1.0
C15 A:D601105 2.4 51.3 1.0
O A:GLY884 2.8 74.8 1.0
C13 A:D601105 2.9 52.6 1.0
C14 A:D601105 2.9 57.2 1.0
C15 I:D601105 3.1 51.8 1.0
C19 I:D601105 3.2 45.2 1.0
F1 I:D601105 3.3 53.2 1.0
C14 I:D601105 3.3 57.6 1.0
C12 A:D601105 3.3 51.1 1.0
O3 I:D601105 3.5 59.5 1.0
CB A:CYS885 3.5 54.8 1.0
C A:GLY884 3.5 69.7 1.0
C18 A:D601105 3.6 44.3 1.0
C16 A:D601105 3.6 47.7 1.0
CA A:CYS885 3.6 59.4 1.0
C16 I:D601105 3.8 55.8 1.0
C20 I:D601105 3.8 43.8 1.0
N A:CYS885 4.0 60.8 1.0
O3 A:D601105 4.0 64.2 1.0
C17 A:D601105 4.1 43.4 1.0
SG A:CYS885 4.2 54.4 1.0
O2 A:D601105 4.3 42.3 1.0
C13 I:D601105 4.3 58.6 1.0
C17 I:D601105 4.3 50.4 1.0
F2 I:D601105 4.4 62.9 1.0
C18 I:D601105 4.4 47.5 1.0
C4 A:D601105 4.6 48.1 1.0
CA A:GLY884 4.6 71.8 1.0
C21 A:D601105 4.7 45.5 1.0
F2 A:D601105 4.7 55.2 1.0
O A:GLY883 4.8 84.7 1.0
C11 A:D601105 4.9 45.1 1.0
O3 A:GOL1109 4.9 60.2 1.0

Fluorine binding site 2 out of 12 in 6kc6

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Fluorine binding site 2 out of 12 in the Hoip-HOIPIN8 Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Hoip-HOIPIN8 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1105

b:55.2
occ:1.00
F2 A:D601105 0.0 55.2 1.0
C16 A:D601105 1.4 47.7 1.0
C15 A:D601105 2.4 51.3 1.0
C17 A:D601105 2.4 43.4 1.0
O3 A:D601105 2.5 64.2 1.0
C14 A:D601105 2.7 57.2 1.0
O1 A:D601105 3.4 46.8 1.0
O A:HOH1210 3.5 43.7 1.0
C19 A:D601105 3.6 51.3 1.0
C18 A:D601105 3.6 44.3 1.0
C11 A:D601105 3.6 45.1 1.0
C3 A:D601105 3.9 46.1 1.0
C13 A:D601105 4.1 52.6 1.0
C20 A:D601105 4.1 45.1 1.0
CL I:CL1107 4.2 86.5 1.0
C4 A:D601105 4.2 48.1 1.0
O2 A:D601105 4.2 42.3 1.0
C12 A:D601105 4.4 51.1 1.0
C5 A:D601105 4.5 44.8 1.0
F1 I:D601105 4.6 53.2 1.0
F1 A:D601105 4.7 58.6 1.0
C21 A:D601105 4.7 45.5 1.0
O I:GLY884 4.8 69.6 1.0
NH1 A:ARG935 4.8 40.0 1.0
O A:HOH1264 4.9 53.4 1.0
C20 I:D601105 4.9 43.8 1.0
CA I:GLY884 5.0 63.2 1.0

Fluorine binding site 3 out of 12 in 6kc6

Go back to Fluorine Binding Sites List in 6kc6
Fluorine binding site 3 out of 12 in the Hoip-HOIPIN8 Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Hoip-HOIPIN8 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F1105

b:54.6
occ:1.00
F1 C:D601105 0.0 54.6 1.0
C19 C:D601105 1.3 52.3 1.0
C20 C:D601105 2.3 46.9 1.0
C15 C:D601105 2.3 56.6 1.0
C14 C:D601105 2.8 62.4 1.0
C13 C:D601105 2.9 59.0 1.0
O C:GLY884 2.9 68.4 1.0
F1 K:D601105 3.1 53.4 1.0
C19 K:D601105 3.1 50.0 1.0
C15 K:D601105 3.2 55.3 1.0
C12 C:D601105 3.2 51.2 1.0
C14 K:D601105 3.3 56.1 1.0
CB C:CYS885 3.4 57.3 1.0
CA C:CYS885 3.5 59.2 1.0
C18 C:D601105 3.6 52.4 1.0
C16 C:D601105 3.6 60.1 1.0
O3 K:D601105 3.6 55.2 1.0
C C:GLY884 3.6 62.0 1.0
N C:CYS885 3.9 61.2 1.0
C20 K:D601105 3.9 48.9 1.0
O3 C:D601105 3.9 68.8 1.0
C13 K:D601105 4.0 52.9 1.0
C16 K:D601105 4.0 58.5 1.0
C17 C:D601105 4.0 58.3 1.0
SG C:CYS885 4.1 54.3 1.0
O2 C:D601105 4.1 44.9 1.0
C4 C:D601105 4.5 47.6 1.0
F2 C:D601105 4.6 64.0 1.0
C18 K:D601105 4.6 52.7 1.0
C21 C:D601105 4.6 50.6 1.0
C17 K:D601105 4.7 55.6 1.0
F2 K:D601105 4.7 60.9 1.0
C11 C:D601105 4.7 44.2 1.0
CA C:GLY884 4.8 61.3 1.0
C C:CYS885 4.9 58.3 1.0
C23 C:D601105 5.0 43.8 1.0

Fluorine binding site 4 out of 12 in 6kc6

Go back to Fluorine Binding Sites List in 6kc6
Fluorine binding site 4 out of 12 in the Hoip-HOIPIN8 Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Hoip-HOIPIN8 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F1105

b:64.0
occ:1.00
F2 C:D601105 0.0 64.0 1.0
C16 C:D601105 1.3 60.1 1.0
C15 C:D601105 2.3 56.6 1.0
C17 C:D601105 2.4 58.3 1.0
O3 C:D601105 2.5 68.8 1.0
C14 C:D601105 2.7 62.4 1.0
O2 K:GOL1107 2.7 77.2 1.0
O C:HOH1208 3.5 54.4 1.0
O1 C:D601105 3.5 42.7 1.0
C19 C:D601105 3.6 52.3 1.0
C18 C:D601105 3.6 52.4 1.0
C11 C:D601105 3.8 44.2 1.0
C3 C:D601105 4.0 44.0 1.0
C13 C:D601105 4.1 59.0 1.0
C20 C:D601105 4.1 46.9 1.0
C2 K:GOL1107 4.1 78.8 1.0
C4 C:D601105 4.3 47.6 1.0
O2 C:D601105 4.4 44.9 1.0
C12 C:D601105 4.4 51.2 1.0
CA K:GLY884 4.4 66.6 1.0
F1 K:D601105 4.5 53.4 1.0
C5 C:D601105 4.6 45.1 1.0
C3 K:GOL1107 4.6 77.9 1.0
F1 C:D601105 4.6 54.6 1.0
C21 C:D601105 4.7 50.6 1.0
C1 K:GOL1107 4.9 78.9 1.0
NH1 C:ARG935 5.0 38.5 1.0

Fluorine binding site 5 out of 12 in 6kc6

Go back to Fluorine Binding Sites List in 6kc6
Fluorine binding site 5 out of 12 in the Hoip-HOIPIN8 Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Hoip-HOIPIN8 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
E:F1105

b:71.8
occ:1.00
F1 E:D601105 0.0 71.8 1.0
C19 E:D601105 1.2 67.0 1.0
C20 E:D601105 2.3 62.4 1.0
C15 E:D601105 2.3 70.2 1.0
O E:GLY884 2.5 70.0 1.0
C13 E:D601105 2.8 69.2 1.0
C14 E:D601105 2.9 71.7 1.0
C12 E:D601105 3.2 67.5 1.0
CB E:CYS885 3.3 57.8 1.0
CA E:CYS885 3.4 58.2 1.0
C E:GLY884 3.4 68.3 1.0
C18 E:D601105 3.5 62.9 1.0
C16 E:D601105 3.6 66.7 1.0
N E:CYS885 3.8 63.6 1.0
SG E:CYS885 4.0 61.0 1.0
C17 E:D601105 4.0 62.0 1.0
O3 E:D601105 4.1 71.2 1.0
O2 E:D601105 4.1 54.9 1.0
C4 E:D601105 4.4 65.8 1.0
C21 E:D601105 4.6 67.0 1.0
F2 E:D601105 4.7 71.6 1.0
C E:CYS885 4.7 52.7 1.0
CA E:GLY884 4.7 67.1 1.0
C11 E:D601105 4.7 55.7 1.0
O3 E:GOL1107 4.9 63.2 1.0
C23 E:D601105 4.9 66.1 1.0
NH2 E:ARG935 4.9 38.5 1.0
O E:GLY883 5.0 73.8 1.0
N E:MET886 5.0 50.9 1.0

Fluorine binding site 6 out of 12 in 6kc6

Go back to Fluorine Binding Sites List in 6kc6
Fluorine binding site 6 out of 12 in the Hoip-HOIPIN8 Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Hoip-HOIPIN8 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
E:F1105

b:71.6
occ:1.00
F2 E:D601105 0.0 71.6 1.0
C16 E:D601105 1.3 66.7 1.0
C17 E:D601105 2.3 62.0 1.0
C15 E:D601105 2.4 70.2 1.0
O3 E:D601105 2.4 71.2 1.0
C14 E:D601105 2.7 71.7 1.0
O2 E:GOL1108 3.2 70.9 1.0
C18 E:D601105 3.6 62.9 1.0
C19 E:D601105 3.6 67.0 1.0
O1 E:GOL1108 3.6 59.8 1.0
C2 E:GOL1108 3.7 73.0 1.0
O1 E:D601105 3.9 59.8 1.0
C1 E:GOL1108 4.0 66.9 1.0
C11 E:D601105 4.0 55.7 1.0
C20 E:D601105 4.1 62.4 1.0
C13 E:D601105 4.1 69.2 1.0
C3 E:D601105 4.2 58.9 1.0
C4 E:D601105 4.4 65.8 1.0
C12 E:D601105 4.5 67.5 1.0
O2 E:D601105 4.6 54.9 1.0
F1 E:D601105 4.7 71.8 1.0
C21 E:D601105 4.7 67.0 1.0
C5 E:D601105 4.7 57.9 1.0
C22 E:D601105 5.0 66.6 1.0

Fluorine binding site 7 out of 12 in 6kc6

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Fluorine binding site 7 out of 12 in the Hoip-HOIPIN8 Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Hoip-HOIPIN8 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
G:F1105

b:69.8
occ:1.00
F1 G:D601105 0.0 69.8 1.0
C19 G:D601105 1.3 66.9 1.0
C20 G:D601105 2.3 62.7 1.0
C15 G:D601105 2.4 71.4 1.0
O G:GLY884 2.6 77.2 1.0
C13 G:D601105 2.8 63.0 1.0
C14 G:D601105 2.9 75.9 1.0
C12 G:D601105 3.3 64.1 1.0
CB G:CYS885 3.3 62.4 1.0
CA G:CYS885 3.4 61.4 1.0
C G:GLY884 3.5 73.2 1.0
C18 G:D601105 3.6 63.2 1.0
C16 G:D601105 3.6 65.8 1.0
N G:CYS885 3.8 67.6 1.0
O3 G:D601105 4.0 74.2 1.0
C17 G:D601105 4.1 64.6 1.0
SG G:CYS885 4.1 56.0 1.0
O2 G:D601105 4.2 51.4 1.0
C4 G:D601105 4.5 61.4 1.0
C21 G:D601105 4.6 64.0 1.0
F2 G:D601105 4.7 64.9 1.0
C11 G:D601105 4.7 48.6 1.0
CA G:GLY884 4.7 71.9 1.0
C G:CYS885 4.8 57.0 1.0
C23 G:D601105 4.9 64.4 1.0
O G:GLY883 4.9 83.7 1.0
O1 G:GOL1107 5.0 80.2 1.0

Fluorine binding site 8 out of 12 in 6kc6

Go back to Fluorine Binding Sites List in 6kc6
Fluorine binding site 8 out of 12 in the Hoip-HOIPIN8 Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Hoip-HOIPIN8 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
G:F1105

b:64.9
occ:1.00
F2 G:D601105 0.0 64.9 1.0
C16 G:D601105 1.3 65.8 1.0
C15 G:D601105 2.3 71.4 1.0
C17 G:D601105 2.3 64.6 1.0
O3 G:D601105 2.4 74.2 1.0
C14 G:D601105 2.7 75.9 1.0
O1 G:D601105 3.5 52.3 1.0
C19 G:D601105 3.6 66.9 1.0
C18 G:D601105 3.6 63.2 1.0
O G:HOH1206 3.8 57.4 1.0
C11 G:D601105 3.8 48.6 1.0
O G:HOH1240 4.0 72.1 1.0
C20 G:D601105 4.1 62.7 1.0
C3 G:D601105 4.1 55.1 1.0
C13 G:D601105 4.1 63.0 1.0
C4 G:D601105 4.3 61.4 1.0
C12 G:D601105 4.5 64.1 1.0
O2 G:D601105 4.5 51.4 1.0
C5 G:D601105 4.7 62.6 1.0
F1 G:D601105 4.7 69.8 1.0
C21 G:D601105 4.7 64.0 1.0
NH1 G:ARG935 4.9 46.7 1.0

Fluorine binding site 9 out of 12 in 6kc6

Go back to Fluorine Binding Sites List in 6kc6
Fluorine binding site 9 out of 12 in the Hoip-HOIPIN8 Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Hoip-HOIPIN8 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
I:F1105

b:53.2
occ:1.00
F1 I:D601105 0.0 53.2 1.0
C19 I:D601105 1.2 45.2 1.0
C20 I:D601105 2.2 43.8 1.0
C15 I:D601105 2.3 51.8 1.0
O I:GLY884 2.7 69.6 1.0
C14 I:D601105 2.9 57.6 1.0
C13 I:D601105 2.9 58.6 1.0
C15 A:D601105 3.3 51.3 1.0
C14 A:D601105 3.3 57.2 1.0
C19 A:D601105 3.3 51.3 1.0
C12 I:D601105 3.3 57.6 1.0
F1 A:D601105 3.3 58.6 1.0
CB I:CYS885 3.5 58.6 1.0
O3 A:D601105 3.5 64.2 1.0
C I:GLY884 3.5 65.0 1.0
C18 I:D601105 3.5 47.5 1.0
C16 I:D601105 3.5 55.8 1.0
CA I:CYS885 3.5 57.1 1.0
N I:CYS885 3.9 62.4 1.0
O3 I:D601105 4.0 59.5 1.0
C16 A:D601105 4.0 47.7 1.0
C17 I:D601105 4.0 50.4 1.0
C13 A:D601105 4.0 52.6 1.0
C20 A:D601105 4.1 45.1 1.0
SG I:CYS885 4.2 59.1 1.0
O2 I:D601105 4.2 46.6 1.0
C4 I:D601105 4.5 53.6 1.0
F2 I:D601105 4.6 62.9 1.0
C21 I:D601105 4.6 50.3 1.0
F2 A:D601105 4.6 55.2 1.0
C11 I:D601105 4.7 51.3 1.0
CA I:GLY884 4.7 63.2 1.0
C17 A:D601105 4.7 43.4 1.0
C18 A:D601105 4.7 44.3 1.0
C23 I:D601105 4.9 47.7 1.0
O I:GLY883 4.9 69.3 1.0
C I:CYS885 5.0 56.0 1.0

Fluorine binding site 10 out of 12 in 6kc6

Go back to Fluorine Binding Sites List in 6kc6
Fluorine binding site 10 out of 12 in the Hoip-HOIPIN8 Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Hoip-HOIPIN8 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
I:F1105

b:62.9
occ:1.00
F2 I:D601105 0.0 62.9 1.0
C16 I:D601105 1.3 55.8 1.0
C15 I:D601105 2.3 51.8 1.0
C17 I:D601105 2.3 50.4 1.0
O3 I:D601105 2.4 59.5 1.0
C14 I:D601105 2.6 57.6 1.0
O1 I:D601105 3.2 47.6 1.0
C11 I:D601105 3.5 51.3 1.0
O I:HOH1229 3.5 52.4 1.0
C19 I:D601105 3.5 45.2 1.0
C18 I:D601105 3.6 47.5 1.0
C3 I:D601105 3.7 48.0 1.0
C13 I:D601105 4.0 58.6 1.0
CL A:CL1108 4.0 90.6 1.0
C20 I:D601105 4.0 43.8 1.0
C4 I:D601105 4.0 53.6 1.0
C5 I:D601105 4.3 45.3 1.0
C12 I:D601105 4.3 57.6 1.0
F1 A:D601105 4.4 58.6 1.0
O2 I:D601105 4.4 46.6 1.0
F1 I:D601105 4.6 53.2 1.0
O A:GLY884 4.7 74.8 1.0
C21 I:D601105 4.7 50.3 1.0
CA A:GLY884 4.8 71.8 1.0
C6 I:D601105 4.9 54.4 1.0
O A:GLY883 4.9 84.7 1.0
C20 A:D601105 5.0 45.1 1.0

Reference:

D.Oikawa, Y.Sato, F.Ohtake, K.Komakura, K.Hanada, K.Sugawara, S.Terawaki, Y.Mizukami, H.T.Phuong, K.Iio, S.Obika, M.Fukushi, T.Irie, D.Tsuruta, S.Sakamoto, K.Tanaka, Y.Saeki, S.Fukai, F.Tokunaga. Molecular Bases For Hoipins-Mediated Inhibition of Lubac and Innate Immune Responses. Commun Biol V. 3 163 2020.
ISSN: ESSN 2399-3642
PubMed: 32246052
DOI: 10.1038/S42003-020-0882-8
Page generated: Thu Aug 1 21:47:29 2024

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