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Fluorine in PDB 7axq: Structure of the Cryo-Trapped WDR5:Cs-VIP8 Cocrystal After Illumination at 405 Nm and 180 K

Protein crystallography data

The structure of Structure of the Cryo-Trapped WDR5:Cs-VIP8 Cocrystal After Illumination at 405 Nm and 180 K, PDB code: 7axq was solved by L.Werel, L.-O.Essen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.55 / 1.56
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 47, 47.25, 133.62, 90, 90, 90
R / Rfree (%) 16.7 / 20

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Structure of the Cryo-Trapped WDR5:Cs-VIP8 Cocrystal After Illumination at 405 Nm and 180 K (pdb code 7axq). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Structure of the Cryo-Trapped WDR5:Cs-VIP8 Cocrystal After Illumination at 405 Nm and 180 K, PDB code: 7axq:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in 7axq

Go back to Fluorine Binding Sites List in 7axq
Fluorine binding site 1 out of 4 in the Structure of the Cryo-Trapped WDR5:Cs-VIP8 Cocrystal After Illumination at 405 Nm and 180 K


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of the Cryo-Trapped WDR5:Cs-VIP8 Cocrystal After Illumination at 405 Nm and 180 K within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F7

b:32.6
occ:0.84
FA2 B:S7Z7 0.0 32.6 0.8
CA2 B:S7Z7 1.4 28.5 0.9
CA3 B:S7Z7 2.3 28.0 1.0
CA1 B:S7Z7 2.4 33.3 1.0
NA1 B:S7Z7 3.0 34.7 0.6
CA4 B:S7Z7 3.6 21.7 0.9
CA6 B:S7Z7 3.6 31.0 0.8
FB2 B:S7Z7 4.0 33.9 0.9
CA5 B:S7Z7 4.1 24.4 0.9
NB1 B:S7Z7 4.3 32.1 0.8
O B:HOH106 4.7 27.9 1.0
FA6 B:S7Z7 4.8 30.9 0.6
CA B:S7Z7 4.8 24.4 1.0
CB2 B:S7Z7 4.9 28.6 0.9

Fluorine binding site 2 out of 4 in 7axq

Go back to Fluorine Binding Sites List in 7axq
Fluorine binding site 2 out of 4 in the Structure of the Cryo-Trapped WDR5:Cs-VIP8 Cocrystal After Illumination at 405 Nm and 180 K


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of the Cryo-Trapped WDR5:Cs-VIP8 Cocrystal After Illumination at 405 Nm and 180 K within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F7

b:30.9
occ:0.57
FA6 B:S7Z7 0.0 30.9 0.6
CA6 B:S7Z7 1.4 31.0 0.8
CA1 B:S7Z7 2.4 33.3 1.0
CA5 B:S7Z7 2.4 24.4 0.9
NA1 B:S7Z7 2.7 34.7 0.6
NB1 B:S7Z7 3.0 32.1 0.8
CB1 B:S7Z7 3.0 27.4 1.0
CB6 B:S7Z7 3.1 29.4 1.0
FB6 B:S7Z7 3.1 30.7 0.6
CE1 B:DPN5 3.4 28.2 0.9
CD1 B:DPN5 3.6 25.9 1.0
CA2 B:S7Z7 3.6 28.5 0.9
CA4 B:S7Z7 3.6 21.7 0.9
CB2 B:S7Z7 3.8 28.6 0.9
CB5 B:S7Z7 4.0 28.8 1.0
CA3 B:S7Z7 4.1 28.0 1.0
CZ B:DPN5 4.2 21.9 0.8
CG B:DPN5 4.4 24.5 0.9
FB2 B:S7Z7 4.4 33.9 0.9
CB3 B:S7Z7 4.6 27.1 1.0
CB4 B:S7Z7 4.6 25.9 1.0
FA2 B:S7Z7 4.8 32.6 0.8
CA B:S7Z7 4.9 24.4 1.0
CE2 B:DPN5 5.0 19.7 0.9

Fluorine binding site 3 out of 4 in 7axq

Go back to Fluorine Binding Sites List in 7axq
Fluorine binding site 3 out of 4 in the Structure of the Cryo-Trapped WDR5:Cs-VIP8 Cocrystal After Illumination at 405 Nm and 180 K


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structure of the Cryo-Trapped WDR5:Cs-VIP8 Cocrystal After Illumination at 405 Nm and 180 K within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F7

b:33.9
occ:0.89
FB2 B:S7Z7 0.0 33.9 0.9
CB2 B:S7Z7 1.3 28.6 0.9
CB1 B:S7Z7 2.3 27.4 1.0
CB3 B:S7Z7 2.4 27.1 1.0
NB1 B:S7Z7 2.7 32.1 0.8
NA1 B:S7Z7 3.2 34.7 0.6
CA1 B:S7Z7 3.4 33.3 1.0
CB6 B:S7Z7 3.6 29.4 1.0
CB4 B:S7Z7 3.6 25.9 1.0
CA2 B:S7Z7 3.9 28.5 0.9
FA2 B:S7Z7 4.0 32.6 0.8
O B:HOH108 4.1 33.6 1.0
CA6 B:S7Z7 4.1 31.0 0.8
CB5 B:S7Z7 4.1 28.8 1.0
FA6 B:S7Z7 4.4 30.9 0.6
FB6 B:S7Z7 4.7 30.7 0.6
CA3 B:S7Z7 4.7 28.0 1.0
CB B:S7Z7 4.9 30.2 1.0
CA5 B:S7Z7 4.9 24.4 0.9

Fluorine binding site 4 out of 4 in 7axq

Go back to Fluorine Binding Sites List in 7axq
Fluorine binding site 4 out of 4 in the Structure of the Cryo-Trapped WDR5:Cs-VIP8 Cocrystal After Illumination at 405 Nm and 180 K


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Structure of the Cryo-Trapped WDR5:Cs-VIP8 Cocrystal After Illumination at 405 Nm and 180 K within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F7

b:30.7
occ:0.58
FB6 B:S7Z7 0.0 30.7 0.6
CB6 B:S7Z7 1.3 29.4 1.0
CB5 B:S7Z7 2.3 28.8 1.0
CB1 B:S7Z7 2.4 27.4 1.0
NB1 B:S7Z7 3.0 32.1 0.8
FA6 B:S7Z7 3.1 30.9 0.6
CB4 B:S7Z7 3.6 25.9 1.0
CB2 B:S7Z7 3.6 28.6 0.9
NA1 B:S7Z7 4.1 34.7 0.6
CB3 B:S7Z7 4.1 27.1 1.0
CA6 B:S7Z7 4.3 31.0 0.8
CE1 B:DPN5 4.6 28.2 0.9
FB2 B:S7Z7 4.7 33.9 0.9
CA1 B:S7Z7 4.7 33.3 1.0
CD1 B:DPN5 4.8 25.9 1.0
CB B:S7Z7 4.8 30.2 1.0
OB B:S7Z7 5.0 32.7 0.9

Reference:

L.Albert, J.Nagpal, W.Steinchen, L.Zhang, L.Werel, N.Djokovic, D.Ruzic, M.Hoffarth, J.Xu, J.Kaspareit, F.Abendroth, A.Royant, G.Bange, K.Nikolic, S.Ryu, Y.Dou, L.-O.Essen, O.Vazquez. Bistable Photoswitch Allows in Vivo Control of Hematopoiesis To Be Published.
Page generated: Fri Aug 2 05:48:21 2024

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