Atomistry » Chlorine » PDB 3rmn-3ruu » 3ruu
Atomistry »
  Chlorine »
    PDB 3rmn-3ruu »
      3ruu »

Chlorine in PDB 3ruu: Fxr with SRC1 and GSK237

Enzymatic activity of Fxr with SRC1 and GSK237

All present enzymatic activity of Fxr with SRC1 and GSK237:
2.3.1.48;

Protein crystallography data

The structure of Fxr with SRC1 and GSK237, PDB code: 3ruu was solved by S.P.Williams, K.P.Madauss, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.50 / 2.50
Space group F 2 3
Cell size a, b, c (Å), α, β, γ (°) 159.605, 159.605, 159.605, 90.00, 90.00, 90.00
R / Rfree (%) 21.3 / 25.3

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Fxr with SRC1 and GSK237 (pdb code 3ruu). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Fxr with SRC1 and GSK237, PDB code: 3ruu:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 3ruu

Go back to Chlorine Binding Sites List in 3ruu
Chlorine binding site 1 out of 2 in the Fxr with SRC1 and GSK237


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Fxr with SRC1 and GSK237 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1

b:69.7
occ:1.00
CL31 A:37G1 0.0 69.7 1.0
C30 A:37G1 1.7 45.2 1.0
C29 A:37G1 2.7 47.9 1.0
C32 A:37G1 2.7 38.3 1.0
C07 A:37G1 3.0 41.9 1.0
C08 A:37G1 3.4 34.6 1.0
C09 A:37G1 3.7 33.7 1.0
N06 A:37G1 3.7 47.8 1.0
CD1 A:ILE357 4.0 26.1 1.0
C33 A:37G1 4.0 44.7 1.0
C35 A:37G1 4.0 40.1 1.0
CG2 A:ILE352 4.0 27.5 1.0
CG1 A:ILE352 4.1 34.0 1.0
CD1 A:ILE352 4.2 35.1 1.0
C04 A:37G1 4.3 39.4 1.0
SD A:MET365 4.5 59.6 1.0
CE A:MET450 4.5 38.9 1.0
O05 A:37G1 4.5 42.6 1.0
C34 A:37G1 4.5 31.6 1.0
CE A:MET365 4.5 40.7 1.0
O10 A:37G1 4.6 41.5 1.0
CB A:ILE352 4.7 36.0 1.0
CD1 A:LEU287 4.7 32.3 1.0

Chlorine binding site 2 out of 2 in 3ruu

Go back to Chlorine Binding Sites List in 3ruu
Chlorine binding site 2 out of 2 in the Fxr with SRC1 and GSK237


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Fxr with SRC1 and GSK237 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1

b:45.6
occ:1.00
CL36 A:37G1 0.0 45.6 1.0
C35 A:37G1 1.7 40.1 1.0
C34 A:37G1 2.7 31.6 1.0
C29 A:37G1 2.7 47.9 1.0
C07 A:37G1 3.0 41.9 1.0
SD A:MET328 3.2 51.1 1.0
N06 A:37G1 3.4 47.8 1.0
CB A:MET328 3.6 40.9 1.0
NE2 A:HIS447 3.7 40.1 1.0
C08 A:37G1 3.8 34.6 1.0
O10 A:37G1 3.8 41.5 1.0
CD2 A:HIS447 3.9 33.8 1.0
C33 A:37G1 3.9 44.7 1.0
C30 A:37G1 4.0 45.2 1.0
CZ2 A:TRP469 4.0 34.6 1.0
CG A:MET328 4.1 52.9 1.0
CH2 A:TRP469 4.2 37.1 1.0
O05 A:37G1 4.3 42.6 1.0
C09 A:37G1 4.4 33.7 1.0
C32 A:37G1 4.5 38.3 1.0
O A:VAL325 4.5 42.7 1.0
C04 A:37G1 4.5 39.4 1.0
CA A:VAL325 4.6 32.1 1.0
CG1 A:VAL325 4.6 34.6 1.0
CE1 A:HIS447 4.7 38.1 1.0
CG2 A:VAL325 4.8 39.2 1.0
C11 A:37G1 4.8 42.4 1.0
CE A:MET328 4.8 36.6 1.0
CE1 A:PHE329 4.8 49.1 1.0
CD1 A:PHE329 4.9 45.3 1.0
CB A:VAL325 4.9 30.8 1.0
CG A:HIS447 5.0 41.0 1.0
C12 A:37G1 5.0 40.9 1.0
CA A:MET328 5.0 33.6 1.0

Reference:

A.Akwabi-Ameyaw, J.A.Caravella, L.Chen, K.L.Creech, D.N.Deaton, K.P.Madauss, H.B.Marr, A.B.Miller, F.Navas, D.J.Parks, P.K.Spearing, D.Todd, S.P.Williams, G.B.Wisely. Conformationally Constrained Farnesoid X Receptor (Fxr) Agonists: Alternative Replacements of the Stilbene. Bioorg.Med.Chem.Lett. V. 21 6154 2011.
ISSN: ISSN 0960-894X
PubMed: 21890356
DOI: 10.1016/J.BMCL.2011.08.034
Page generated: Fri Jul 11 10:02:02 2025

Last articles

Fe in 2YXO
Fe in 2YRS
Fe in 2YXC
Fe in 2YNM
Fe in 2YVJ
Fe in 2YP1
Fe in 2YU2
Fe in 2YU1
Fe in 2YQB
Fe in 2YOO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy