Atomistry » Chlorine » PDB 3fpl-3fzl » 3fxv
Atomistry »
  Chlorine »
    PDB 3fpl-3fzl »
      3fxv »

Chlorine in PDB 3fxv: Identification of An N-Oxide Pyridine GW4064 Analogue As A Potent Fxr Agonist

Protein crystallography data

The structure of Identification of An N-Oxide Pyridine GW4064 Analogue As A Potent Fxr Agonist, PDB code: 3fxv was solved by S.Feng, M.Yang, Y.He, L.Chen, Z.Zhang, Z.Wang, D.Hong, H.Richter, G.M.Benson, K.Bleicher, U.Grether, R.Martin, J.-M.Plancher, B.Kuhn, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.61 / 2.26
Space group P 65
Cell size a, b, c (Å), α, β, γ (°) 94.796, 94.796, 48.274, 90.00, 90.00, 120.00
R / Rfree (%) 18.8 / 24.2

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Identification of An N-Oxide Pyridine GW4064 Analogue As A Potent Fxr Agonist (pdb code 3fxv). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Identification of An N-Oxide Pyridine GW4064 Analogue As A Potent Fxr Agonist, PDB code: 3fxv:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 3fxv

Go back to Chlorine Binding Sites List in 3fxv
Chlorine binding site 1 out of 2 in the Identification of An N-Oxide Pyridine GW4064 Analogue As A Potent Fxr Agonist


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Identification of An N-Oxide Pyridine GW4064 Analogue As A Potent Fxr Agonist within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1

b:50.0
occ:1.00
CL32 A:6431 0.0 50.0 1.0
C22 A:6431 1.7 49.8 1.0
C21 A:6431 2.7 48.8 1.0
C23 A:6431 2.7 47.4 1.0
C27 A:6431 3.0 49.4 1.0
O20 A:6431 3.5 41.9 1.0
N31 A:6431 3.5 52.2 1.0
C28 A:6431 3.7 47.0 1.0
CG2 A:ILE356 3.7 41.6 1.0
CE A:MET369 3.7 44.3 1.0
CD1 A:LEU291 3.8 44.8 1.0
SD A:MET369 3.8 49.0 1.0
N24 A:6431 3.9 46.8 1.0
C26 A:6431 4.0 49.3 1.0
CG1 A:ILE356 4.2 44.2 1.0
C36 A:6431 4.2 42.8 1.0
O30 A:6431 4.3 51.8 1.0
CD1 A:ILE356 4.3 35.1 1.0
C18 A:6431 4.3 42.0 1.0
C19 A:6431 4.4 41.7 1.0
C29 A:6431 4.4 49.3 1.0
C25 A:6431 4.4 48.5 1.0
CB A:ILE356 4.6 43.5 1.0
CG A:LEU291 4.8 45.0 1.0
CD2 A:LEU291 4.9 48.2 1.0

Chlorine binding site 2 out of 2 in 3fxv

Go back to Chlorine Binding Sites List in 3fxv
Chlorine binding site 2 out of 2 in the Identification of An N-Oxide Pyridine GW4064 Analogue As A Potent Fxr Agonist


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Identification of An N-Oxide Pyridine GW4064 Analogue As A Potent Fxr Agonist within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1

b:50.0
occ:1.00
CL37 A:6431 0.0 50.0 1.0
C26 A:6431 1.7 49.3 1.0
C21 A:6431 2.7 48.8 1.0
C25 A:6431 2.7 48.5 1.0
C27 A:6431 3.0 49.4 1.0
SD A:MET332 3.5 52.4 1.0
CE2 A:PHE333 3.5 44.6 1.0
C28 A:6431 3.6 47.0 1.0
N31 A:6431 3.6 52.2 1.0
N24 A:6431 3.9 46.8 1.0
CD2 A:PHE333 3.9 41.0 1.0
C22 A:6431 4.0 49.8 1.0
C36 A:6431 4.0 42.8 1.0
CG A:MET332 4.0 45.6 1.0
CE1 A:HIS451 4.0 54.1 1.0
ND1 A:HIS451 4.1 55.1 1.0
CZ A:PHE333 4.1 44.5 1.0
CB A:MET332 4.2 38.7 1.0
O30 A:6431 4.3 51.8 1.0
OH A:TYR365 4.3 52.0 0.5
C29 A:6431 4.4 49.3 1.0
C23 A:6431 4.4 47.4 1.0
O20 A:6431 4.5 41.9 1.0
CG A:PHE333 4.8 39.3 1.0
CG1 A:VAL329 4.8 41.2 1.0
O A:VAL329 4.8 38.7 1.0
CE A:MET332 4.9 48.5 1.0
CE1 A:PHE333 4.9 47.2 1.0
N A:PHE333 5.0 34.7 1.0
C A:MET332 5.0 39.0 1.0

Reference:

S.Feng, M.Yang, Z.Zhang, Z.Wang, D.Hong, H.Richter, G.M.Benson, K.Bleicher, U.Grether, R.E.Martin, J.-M.Plancher, B.Kuhn, M.G.Rudolph, L.Chen. Identification of An N-Oxide Pyridine GW4064 Analog As A Potent Fxr Agonist Bioorg.Med.Chem.Lett. V. 19 2595 2009.
ISSN: ISSN 0960-894X
PubMed: 19328688
DOI: 10.1016/J.BMCL.2009.03.008
Page generated: Sat Dec 12 09:42:49 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy