Fluorine in PDB 7v8z: Crystal Structure of Mouse CRY2 in Complex with SHP656 Compound

Protein crystallography data

The structure of Crystal Structure of Mouse CRY2 in Complex with SHP656 Compound, PDB code: 7v8z was solved by S.A.Miller, T.Hirota, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 67.24 / 1.95
Space group P 65
Cell size a, b, c (Å), α, β, γ (°) 77.643, 77.643, 159.219, 90, 90, 120
R / Rfree (%) 17.2 / 20.2

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Mouse CRY2 in Complex with SHP656 Compound (pdb code 7v8z). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of Mouse CRY2 in Complex with SHP656 Compound, PDB code: 7v8z:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 7v8z

Go back to Fluorine Binding Sites List in 7v8z
Fluorine binding site 1 out of 2 in the Crystal Structure of Mouse CRY2 in Complex with SHP656 Compound


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 Mouse CRY2 in Complex with SHP656 Compound within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F601

b:23.4
occ:0.93
F16 A:5YH601 0.0 23.4 0.9
C15 A:5YH601 1.4 21.2 0.9
C17 A:5YH601 2.3 21.0 0.9
C14 A:5YH601 2.4 21.3 0.9
CB A:ALA380 2.8 22.4 1.0
C18 A:5YH601 3.6 22.0 0.9
CD2 A:TRP415 3.6 24.8 1.0
CB A:LEU418 3.7 21.8 1.0
C13 A:5YH601 3.7 21.5 0.9
CG A:LEU418 3.7 25.5 1.0
CE2 A:TRP415 3.8 22.1 1.0
CG A:TRP415 3.9 23.5 1.0
CA A:TRP415 3.9 24.2 1.0
CE3 A:TRP415 3.9 20.5 1.0
O A:SER414 4.0 18.7 1.0
O A:ARG376 4.1 22.6 1.0
C12 A:5YH601 4.1 22.2 0.9
NE1 A:TRP415 4.2 22.9 1.0
CD1 A:TRP415 4.2 24.1 1.0
N A:TRP415 4.3 22.5 1.0
CD1 A:LEU418 4.3 30.7 1.0
C A:SER414 4.3 20.6 1.0
CZ2 A:TRP415 4.3 21.0 1.0
CA A:ALA380 4.3 23.7 1.0
CZ3 A:TRP415 4.4 22.6 1.0
CB A:TRP415 4.5 23.4 1.0
CH2 A:TRP415 4.6 23.1 1.0
C A:ARG376 4.7 21.7 1.0
CB A:SER414 4.9 22.0 1.0
CE2 A:PHE399 4.9 22.7 1.0
CD2 A:LEU418 4.9 23.6 1.0
C19 A:5YH601 5.0 22.8 0.9
C A:TRP415 5.0 25.0 1.0

Fluorine binding site 2 out of 2 in 7v8z

Go back to Fluorine Binding Sites List in 7v8z
Fluorine binding site 2 out of 2 in the Crystal Structure of Mouse CRY2 in Complex with SHP656 Compound


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 Mouse CRY2 in Complex with SHP656 Compound within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F601

b:24.3
occ:0.93
F25 A:5YH601 0.0 24.3 0.9
C23 A:5YH601 1.4 21.0 0.9
C24 A:5YH601 2.4 21.6 0.9
C22 A:5YH601 2.4 21.4 0.9
CA A:ALA406 3.1 24.9 1.0
CB A:ALA406 3.2 22.9 1.0
CA A:ASN411 3.3 25.7 1.0
CB A:ASN411 3.3 25.0 1.0
N A:ASN411 3.6 23.1 1.0
C19 A:5YH601 3.6 22.8 0.9
C21 A:5YH601 3.6 21.9 0.9
CG A:ASN411 3.6 23.8 1.0
OD1 A:ASN411 3.7 21.5 1.0
CD2 A:LEU403 3.7 30.6 1.0
CG2 A:VAL410 3.7 26.2 1.0
N A:ALA406 3.9 22.5 1.0
O A:ASP405 3.9 20.8 1.0
C A:VAL410 4.0 21.6 1.0
C20 A:5YH601 4.1 23.6 0.9
O A:VAL410 4.2 24.1 1.0
N A:ASP407 4.2 23.9 1.0
C A:ALA406 4.2 23.8 1.0
C A:ASP405 4.3 22.4 1.0
OD1 A:ASP405 4.4 27.9 1.0
ND2 A:ASN411 4.5 24.4 1.0
CB A:VAL410 4.6 25.7 1.0
C A:ASN411 4.6 25.8 1.0
NH1 A:ARG376 4.7 23.2 1.0
CG A:LEU403 4.8 32.2 1.0
O A:ASP407 4.8 25.8 1.0
CD2 A:PHE399 4.9 23.4 1.0
CA A:VAL410 4.9 22.0 1.0
C18 A:5YH601 5.0 22.0 0.9

Reference:

S.Miller, M.Kesherwani, P.Chan, Y.Nagai, M.Yagi, J.Cope, F.Tama, S.A.Kay, T.Hirota. CRY2 Isoform Selectivity of A Circadian Clock Modulator with Antiglioblastoma Efficacy. Proc.Natl.Acad.Sci.Usa V. 119 36119 2022.
ISSN: ESSN 1091-6490
PubMed: 36161947
DOI: 10.1073/PNAS.2203936119
Page generated: Fri Aug 2 14:24:03 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