Atomistry » Fluorine » PDB 4x7j-4xxs » 4xnv
Atomistry »
  Fluorine »
    PDB 4x7j-4xxs »
      4xnv »

Fluorine in PDB 4xnv: The Human P2Y1 Receptor in Complex with Bptu

Protein crystallography data

The structure of The Human P2Y1 Receptor in Complex with Bptu, PDB code: 4xnv was solved by D.Zhang, Z.Gao, K.Jacobson, G.W.Han, R.Stevens, Q.Zhao, B.Wu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.40 / 2.20
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 66.270, 66.270, 239.070, 90.00, 90.00, 120.00
R / Rfree (%) 20.7 / 23

Other elements in 4xnv:

The structure of The Human P2Y1 Receptor in Complex with Bptu also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the The Human P2Y1 Receptor in Complex with Bptu (pdb code 4xnv). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the The Human P2Y1 Receptor in Complex with Bptu, PDB code: 4xnv:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 4xnv

Go back to Fluorine Binding Sites List in 4xnv
Fluorine binding site 1 out of 3 in the The Human P2Y1 Receptor in Complex with Bptu


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of The Human P2Y1 Receptor in Complex with Bptu within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1101

b:70.0
occ:1.00
FAE A:BUR1101 0.0 70.0 1.0
CBF A:BUR1101 1.4 68.2 1.0
FAF A:BUR1101 2.2 70.4 1.0
FAG A:BUR1101 2.3 67.2 1.0
OAW A:BUR1101 2.3 63.0 1.0
CAZ A:BUR1101 2.9 57.6 1.0
CZ A:PHE62 3.2 48.3 1.0
CAQ A:BUR1101 3.2 53.9 1.0
CE2 A:PHE66 3.3 58.0 1.0
CZ A:PHE66 3.4 55.1 1.0
CD2 A:PHE66 3.4 54.2 1.0
CE2 A:PHE62 3.5 51.2 1.0
CE1 A:PHE66 3.6 53.5 1.0
CG A:PHE66 3.6 49.7 1.0
CD1 A:PHE66 3.7 51.2 1.0
CAR A:BUR1101 3.9 55.6 1.0
CBA A:Y011105 4.0 71.0 1.0
CAB A:Y011105 4.1 71.1 1.0
CE1 A:PHE62 4.3 47.4 1.0
CAO A:BUR1101 4.4 52.3 1.0
CB A:PHE66 4.5 47.1 1.0
CAA A:Y011105 4.8 71.0 1.0
CD2 A:PHE62 4.8 47.7 1.0
CAP A:BUR1101 4.9 53.9 1.0

Fluorine binding site 2 out of 3 in 4xnv

Go back to Fluorine Binding Sites List in 4xnv
Fluorine binding site 2 out of 3 in the The Human P2Y1 Receptor in Complex with Bptu


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of The Human P2Y1 Receptor in Complex with Bptu within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1101

b:70.4
occ:1.00
FAF A:BUR1101 0.0 70.4 1.0
CBF A:BUR1101 1.3 68.2 1.0
FAE A:BUR1101 2.2 70.0 1.0
FAG A:BUR1101 2.2 67.2 1.0
OAW A:BUR1101 2.3 63.0 1.0
CAB A:Y011105 3.5 71.1 1.0
CAZ A:BUR1101 3.5 57.6 1.0
CE2 A:PHE66 3.9 58.0 1.0
CZ A:PHE66 4.1 55.1 1.0
CBA A:Y011105 4.3 71.0 1.0
CAR A:BUR1101 4.4 55.6 1.0
CAQ A:BUR1101 4.4 53.9 1.0
CD2 A:PHE66 4.6 54.2 1.0
CE1 A:PHE66 4.9 53.5 1.0

Fluorine binding site 3 out of 3 in 4xnv

Go back to Fluorine Binding Sites List in 4xnv
Fluorine binding site 3 out of 3 in the The Human P2Y1 Receptor in Complex with Bptu


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of The Human P2Y1 Receptor in Complex with Bptu within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1101

b:67.2
occ:1.00
FAG A:BUR1101 0.0 67.2 1.0
CBF A:BUR1101 1.4 68.2 1.0
FAF A:BUR1101 2.2 70.4 1.0
FAE A:BUR1101 2.3 70.0 1.0
OAW A:BUR1101 2.4 63.0 1.0
CAZ A:BUR1101 2.9 57.6 1.0
CAR A:BUR1101 3.1 55.6 1.0
CE2 A:PHE62 3.8 51.2 1.0
CZ A:PHE62 3.9 48.3 1.0
CAQ A:BUR1101 4.0 53.9 1.0
CAP A:BUR1101 4.3 53.9 1.0
CAB A:Y011105 4.4 71.1 1.0
CAP A:Y011105 4.4 68.3 1.0
OH4 A:1PE1114 4.5 91.2 1.0
CBA A:Y011105 4.5 71.0 1.0
C13 A:1PE1114 4.8 90.2 1.0
CAO A:BUR1101 4.9 52.3 1.0
CAO A:Y011105 4.9 67.8 1.0
CAJ A:Y011105 5.0 69.3 1.0

Reference:

D.Zhang, Z.Gao, K.Zhang, E.Kiselev, S.Crane, J.Wang, S.Paoletta, C.Yi, L.Ma, W.Zhang, G.W.Han, H.Liu, V.Cherezov, V.Katritch, H.Jiang, R.Stevens, K.Jacobson, Q.Zhao, B.Wu. Two Disparate Ligand-Binding Sites in the Human P2Y1 Receptor Nature 2015.
ISSN: ESSN 1476-4687
DOI: 10.1038/NATURE14287
Page generated: Tue Jul 15 01:30:27 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