Atomistry » Fluorine » PDB 5sry-5tbm » 5t1a
Atomistry »
  Fluorine »
    PDB 5sry-5tbm »
      5t1a »

Fluorine in PDB 5t1a: Structure of Cc Chemokine Receptor 2 with Orthosteric and Allosteric Antagonists

Enzymatic activity of Structure of Cc Chemokine Receptor 2 with Orthosteric and Allosteric Antagonists

All present enzymatic activity of Structure of Cc Chemokine Receptor 2 with Orthosteric and Allosteric Antagonists:
3.2.1.17;

Protein crystallography data

The structure of Structure of Cc Chemokine Receptor 2 with Orthosteric and Allosteric Antagonists, PDB code: 5t1a was solved by Y.Zheng, L.Qin, N.V.Ortiz Zacarias, H.De Vries, G.W.Han, M.Gustavsson, M.Dabros, C.Zhao, R.J.Cherney, P.Carter, D.Stamos, R.Abagyan, V.Cherezov, R.C.Stevens, A.P.Ijzerman, L.H.Heitman, A.Tebben, I.Kufareva, T.M.Handel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 24.32 / 2.81
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 59.230, 64.690, 169.980, 90.00, 90.00, 90.00
R / Rfree (%) 23.4 / 27.4

Other elements in 5t1a:

The structure of Structure of Cc Chemokine Receptor 2 with Orthosteric and Allosteric Antagonists also contains other interesting chemical elements:

Chlorine (Cl) 1 atom
Zinc (Zn) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Structure of Cc Chemokine Receptor 2 with Orthosteric and Allosteric Antagonists (pdb code 5t1a). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Structure of Cc Chemokine Receptor 2 with Orthosteric and Allosteric Antagonists, PDB code: 5t1a:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in 5t1a

Go back to Fluorine Binding Sites List in 5t1a
Fluorine binding site 1 out of 4 in the Structure of Cc Chemokine Receptor 2 with Orthosteric and Allosteric Antagonists


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of Cc Chemokine Receptor 2 with Orthosteric and Allosteric Antagonists within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1201

b:41.0
occ:1.00
 F32 A:73R1201 0.0 41.0 1.0
CAP A:73R1201 1.4 40.4 1.0
F34 A:73R1201 2.2 40.6 1.0
F33 A:73R1201 2.2 40.3 1.0
C12 A:73R1201 2.3 39.7 1.0
C9 A:73R1201 2.7 39.6 1.0
C13 A:73R1201 3.6 40.2 1.0
CG2 A:ILE40 4.0 58.2 1.0
C8 A:73R1201 4.1 42.2 1.0
CD2 A:LEU44 4.4 43.5 1.0
CB A:ILE40 4.5 58.8 1.0
N A:GLY41 4.6 53.9 1.0
CA A:GLY41 4.7 50.5 1.0
CD1 A:LEU45 4.8 37.4 1.0
C2 A:73R1201 4.8 40.8 1.0
C A:ILE40 4.8 56.4 1.0
CG2 A:VAL289 4.8 32.5 1.0
C1 A:73R1201 4.9 42.3 1.0

Fluorine binding site 2 out of 4 in 5t1a

Go back to Fluorine Binding Sites List in 5t1a
Fluorine binding site 2 out of 4 in the Structure of Cc Chemokine Receptor 2 with Orthosteric and Allosteric Antagonists


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of Cc Chemokine Receptor 2 with Orthosteric and Allosteric Antagonists within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1201

b:40.3
occ:1.00
 F33 A:73R1201 0.0 40.3 1.0
CAP A:73R1201 1.4 40.4 1.0
F34 A:73R1201 2.2 40.6 1.0
F32 A:73R1201 2.2 41.0 1.0
C12 A:73R1201 2.4 39.7 1.0
C13 A:73R1201 2.9 40.2 1.0
CG2 A:VAL289 3.3 32.5 1.0
C9 A:73R1201 3.5 39.6 1.0
CA A:VAL289 3.6 30.2 1.0
CB A:VAL289 3.9 31.7 1.0
N A:VAL289 4.0 44.2 1.0
OG1 A:THR292 4.0 34.2 1.0
C2 A:73R1201 4.3 40.8 1.0
C A:GLN288 4.4 44.0 1.0
CG1 A:VAL289 4.4 30.2 1.0
O A:GLN288 4.4 42.6 1.0
CB A:THR292 4.6 33.9 1.0
C8 A:73R1201 4.7 42.2 1.0
C A:VAL289 4.8 28.6 1.0
O A:VAL289 4.9 28.0 1.0
CB A:GLN288 4.9 47.1 1.0
CG2 A:THR292 5.0 32.4 1.0
C1 A:73R1201 5.0 42.3 1.0

Fluorine binding site 3 out of 4 in 5t1a

Go back to Fluorine Binding Sites List in 5t1a
Fluorine binding site 3 out of 4 in the Structure of Cc Chemokine Receptor 2 with Orthosteric and Allosteric Antagonists


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structure of Cc Chemokine Receptor 2 with Orthosteric and Allosteric Antagonists within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1201

b:40.6
occ:1.00
 F34 A:73R1201 0.0 40.6 1.0
CAP A:73R1201 1.3 40.4 1.0
F32 A:73R1201 2.2 41.0 1.0
F33 A:73R1201 2.2 40.3 1.0
C12 A:73R1201 2.4 39.7 1.0
C13 A:73R1201 3.1 40.2 1.0
CD1 A:LEU45 3.2 37.4 1.0
C9 A:73R1201 3.4 39.6 1.0
CD2 A:LEU44 3.4 43.5 1.0
OG1 A:THR292 4.1 34.2 1.0
CG2 A:THR292 4.3 32.4 1.0
C2 A:73R1201 4.4 40.8 1.0
CG A:LEU44 4.4 43.9 1.0
C8 A:73R1201 4.6 42.2 1.0
CG A:LEU45 4.6 36.6 1.0
CB A:THR292 4.6 33.9 1.0
CB A:LEU44 4.9 45.5 1.0
C1 A:73R1201 5.0 42.3 1.0

Fluorine binding site 4 out of 4 in 5t1a

Go back to Fluorine Binding Sites List in 5t1a
Fluorine binding site 4 out of 4 in the Structure of Cc Chemokine Receptor 2 with Orthosteric and Allosteric Antagonists


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Structure of Cc Chemokine Receptor 2 with Orthosteric and Allosteric Antagonists within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1202

b:26.0
occ:1.00
 F A:VT51202 0.0 26.0 1.0
C17 A:VT51202 1.3 25.1 1.0
C12 A:VT51202 2.4 24.9 1.0
C16 A:VT51202 2.4 23.9 1.0
N A:VT51202 2.8 25.1 1.0
O1 A:VT51202 2.9 29.1 1.0
C4 A:VT51202 3.0 27.4 1.0
CD1 A:TYR305 3.5 22.4 1.0
C13 A:VT51202 3.6 25.1 1.0
C15 A:VT51202 3.6 23.6 1.0
C6 A:VT51202 3.8 22.5 1.0
CG A:TYR305 3.9 23.4 1.0
C5 A:VT51202 4.0 25.7 1.0
CG1 A:VAL244 4.0 23.5 1.0
C7 A:VT51202 4.0 20.9 1.0
CE1 A:TYR305 4.0 23.8 1.0
C14 A:VT51202 4.1 24.5 1.0
CB A:PHE312 4.1 33.5 1.0
CB A:TYR305 4.1 24.4 1.0
C3 A:VT51202 4.2 29.5 1.0
CA A:TYR305 4.4 22.0 1.0
CA A:GLY309 4.4 34.1 1.0
C8 A:VT51202 4.5 18.2 1.0
C2 A:VT51202 4.6 28.8 1.0
CD2 A:TYR305 4.7 24.5 1.0
CG A:PHE312 4.8 33.0 1.0
CZ A:TYR305 4.8 25.6 1.0
CG2 A:VAL244 4.8 25.6 1.0
O A:TYR305 4.9 23.1 1.0
CB A:VAL244 4.9 25.0 1.0

Reference:

Y.Zheng, L.Qin, N.V.Zacarias, H.De Vries, G.W.Han, M.Gustavsson, M.Dabros, C.Zhao, R.J.Cherney, P.Carter, D.Stamos, R.Abagyan, V.Cherezov, R.C.Stevens, A.P.Ijzerman, L.H.Heitman, A.Tebben, I.Kufareva, T.M.Handel. Structure of Cc Chemokine Receptor 2 with Orthosteric and Allosteric Antagonists. Nature V. 540 458 2016.
ISSN: ESSN 1476-4687
PubMed: 27926736
DOI: 10.1038/NATURE20605
Page generated: Tue Jul 15 07:46:25 2025

Last articles

Zn in 9UUO
Zn in 9UUS
Zn in 9W4R
Zn in 9VKW
Zn in 9W4S
Zn in 9VH1
Zn in 9RMX
Zn in 9RMU
Zn in 9QWN
Zn in 9U9Y
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy