Atomistry » Bromine » PDB 6lue-6puu » 6lue
Atomistry »
  Bromine »
    PDB 6lue-6puu »
      6lue »

Bromine in PDB 6lue: Crystal Structure of Mouse Cryptochrome 1 in Complex with Compound KL201

Protein crystallography data

The structure of Crystal Structure of Mouse Cryptochrome 1 in Complex with Compound KL201, PDB code: 6lue was solved by S.Miller, Y.Aikawa, T.Hirota, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.46 / 2.10
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 130.551, 143.260, 76.730, 90.00, 118.65, 90.00
R / Rfree (%) 21.8 / 25.6

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of Mouse Cryptochrome 1 in Complex with Compound KL201 (pdb code 6lue). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Crystal Structure of Mouse Cryptochrome 1 in Complex with Compound KL201, PDB code: 6lue:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in 6lue

Go back to Bromine Binding Sites List in 6lue
Bromine binding site 1 out of 2 in the Crystal Structure of Mouse Cryptochrome 1 in Complex with Compound KL201


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of Mouse Cryptochrome 1 in Complex with Compound KL201 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br501

b:51.3
occ:0.78
BR9 A:EUL501 0.0 51.3 0.8
C08 A:EUL501 1.9 31.2 0.8
C07 A:EUL501 2.8 22.1 0.8
C03 A:EUL501 2.9 21.0 0.8
C02 A:EUL501 3.2 15.1 0.8
CB A:ALA388 3.5 30.6 1.0
O01 A:EUL501 3.5 24.2 0.8
CA A:ASN393 3.7 9.5 1.0
CA A:ALA388 3.8 23.3 1.0
CG2 A:ILE392 3.8 10.0 1.0
N A:ASN393 3.8 9.5 1.0
N10 A:EUL501 3.9 10.0 0.8
OD1 A:ASN393 4.0 16.3 1.0
CD1 A:LEU385 4.1 17.3 1.0
C A:ILE392 4.1 14.5 1.0
C06 A:EUL501 4.1 19.4 0.8
C04 A:EUL501 4.2 17.8 0.8
CB A:ASN393 4.2 9.1 1.0
O A:ILE392 4.2 10.3 1.0
NH1 A:ARG358 4.3 13.4 1.0
O A:HOH743 4.3 22.6 1.0
OG A:SER396 4.4 12.4 1.0
CG A:ASN393 4.4 18.1 1.0
CB A:SER396 4.6 12.2 1.0
CB A:ILE392 4.6 20.9 1.0
C05 A:EUL501 4.7 17.6 0.8
C A:ALA388 4.7 18.5 1.0
N A:ALA388 4.8 15.3 1.0
N12 A:EUL501 4.8 19.2 0.8
O A:ASP387 4.9 20.6 1.0
C11 A:EUL501 4.9 15.6 0.8
C A:ASN393 4.9 10.3 1.0
OD1 A:ASP387 5.0 22.9 1.0

Bromine binding site 2 out of 2 in 6lue

Go back to Bromine Binding Sites List in 6lue
Bromine binding site 2 out of 2 in the Crystal Structure of Mouse Cryptochrome 1 in Complex with Compound KL201


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of Mouse Cryptochrome 1 in Complex with Compound KL201 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br501

b:59.0
occ:0.85
BR9 B:EUL501 0.0 59.0 0.8
C08 B:EUL501 2.0 40.8 0.8
C07 B:EUL501 2.9 36.2 0.8
C03 B:EUL501 2.9 28.0 0.8
C02 B:EUL501 3.2 20.3 0.8
O01 B:EUL501 3.5 30.1 0.8
CB B:ALA388 3.6 32.1 1.0
CA B:ASN393 3.7 13.8 1.0
CA B:ALA388 3.8 26.5 1.0
N B:ASN393 3.8 14.9 1.0
CG2 B:ILE392 3.9 19.6 1.0
N10 B:EUL501 3.9 13.9 0.8
OD1 B:ASN393 3.9 15.6 1.0
CD2 B:LEU385 4.0 13.5 1.0
C B:ILE392 4.0 15.4 1.0
O B:ILE392 4.1 14.1 1.0
CB B:ASN393 4.2 12.4 1.0
C06 B:EUL501 4.2 33.2 0.8
C04 B:EUL501 4.2 30.0 0.8
CG B:ASN393 4.3 14.8 1.0
NH1 B:ARG358 4.4 16.8 1.0
OG B:SER396 4.4 19.0 1.0
CB B:ILE392 4.4 25.2 1.0
O B:HOH763 4.6 20.1 1.0
CB B:SER396 4.6 22.0 1.0
C B:ALA388 4.7 22.6 1.0
C05 B:EUL501 4.7 30.9 0.8
N12 B:EUL501 4.7 19.7 0.8
N B:ALA388 4.8 17.0 1.0
OD1 B:ASP387 4.8 28.5 1.0
C11 B:EUL501 4.8 17.9 0.8
O B:ASP387 4.8 24.4 1.0
CA B:ILE392 4.9 18.6 1.0
C B:ASN393 4.9 17.4 1.0
O B:ASP389 5.0 25.3 1.0

Reference:

S.Miller, Y.Aikawa, A.Sugiyama, Y.Nagai, A.Hara, T.Oshima, K.Amaike, S.A.Kay, K.Itami, T.Hirota. An Isoform-Selective Modulator of Cryptochrome 1 Regulates Circadian Rhythms in Mammals Cell Chem Biol V. 27 2020.
ISSN: ESSN 2451-9456
DOI: 10.1016/J.CHEMBIOL.2020.05.008
Page generated: Thu Jul 11 02:16:19 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