Atomistry » Fluorine » PDB 2q9p-2rbe » 2qt9
Atomistry »
  Fluorine »
    PDB 2q9p-2rbe »
      2qt9 »

Fluorine in PDB 2qt9: Human Dipeptidyl Peptidase IV/CD26 in Complex with A 4-Aryl Cyclohexylalanine Inhibitor

Enzymatic activity of Human Dipeptidyl Peptidase IV/CD26 in Complex with A 4-Aryl Cyclohexylalanine Inhibitor

All present enzymatic activity of Human Dipeptidyl Peptidase IV/CD26 in Complex with A 4-Aryl Cyclohexylalanine Inhibitor:
3.4.14.5;

Protein crystallography data

The structure of Human Dipeptidyl Peptidase IV/CD26 in Complex with A 4-Aryl Cyclohexylalanine Inhibitor, PDB code: 2qt9 was solved by G.Scapin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 2.10
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 117.697, 126.072, 136.970, 90.00, 90.00, 90.00
R / Rfree (%) n/a / n/a

Other elements in 2qt9:

The structure of Human Dipeptidyl Peptidase IV/CD26 in Complex with A 4-Aryl Cyclohexylalanine Inhibitor also contains other interesting chemical elements:

Sodium (Na) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Human Dipeptidyl Peptidase IV/CD26 in Complex with A 4-Aryl Cyclohexylalanine Inhibitor (pdb code 2qt9). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Human Dipeptidyl Peptidase IV/CD26 in Complex with A 4-Aryl Cyclohexylalanine Inhibitor, PDB code: 2qt9:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 2qt9

Go back to Fluorine Binding Sites List in 2qt9
Fluorine binding site 1 out of 2 in the Human Dipeptidyl Peptidase IV/CD26 in Complex with A 4-Aryl Cyclohexylalanine Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Human Dipeptidyl Peptidase IV/CD26 in Complex with A 4-Aryl Cyclohexylalanine Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1522

b:17.4
occ:1.00
F41 A:5241522 0.0 17.4 1.0
C32 A:5241522 1.4 18.2 1.0
C33 A:5241522 2.2 17.6 1.0
C31 A:5241522 2.3 16.5 1.0
CB A:TYR631 3.1 13.2 1.0
N17 A:5241522 3.1 16.9 1.0
C34 A:5241522 3.1 16.9 1.0
CD2 A:TYR631 3.3 14.6 1.0
OH A:TYR547 3.3 17.9 1.0
N A:TYR631 3.5 13.7 1.0
CA A:TYR631 3.5 13.3 1.0
CG A:TYR631 3.7 14.5 1.0
OH A:TYR666 3.7 14.3 1.0
OG A:SER630 3.9 18.3 1.0
O A:HOH1546 3.9 14.3 1.0
O A:HOH1621 4.1 19.5 1.0
CZ A:TYR666 4.1 14.3 1.0
C16 A:5241522 4.3 17.3 1.0
CZ A:TYR547 4.4 17.6 1.0
C A:SER630 4.5 14.4 1.0
CE1 A:TYR666 4.5 13.7 1.0
CE2 A:TYR631 4.5 15.4 1.0
CG2 A:VAL656 4.7 10.6 1.0
CH2 A:TRP659 4.7 14.1 1.0
CB A:SER630 4.8 14.8 1.0
CE2 A:TYR666 4.8 14.6 1.0
O21 A:5241522 4.8 18.8 1.0
CE2 A:TYR547 4.9 16.5 1.0

Fluorine binding site 2 out of 2 in 2qt9

Go back to Fluorine Binding Sites List in 2qt9
Fluorine binding site 2 out of 2 in the Human Dipeptidyl Peptidase IV/CD26 in Complex with A 4-Aryl Cyclohexylalanine Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Human Dipeptidyl Peptidase IV/CD26 in Complex with A 4-Aryl Cyclohexylalanine Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F2322

b:17.6
occ:1.00
F41 B:5242322 0.0 17.6 1.0
C32 B:5242322 1.4 17.4 1.0
C33 B:5242322 2.2 17.6 1.0
C31 B:5242322 2.3 16.2 1.0
N17 B:5242322 3.0 16.4 1.0
C34 B:5242322 3.1 16.9 1.0
CB B:TYR631 3.2 14.0 1.0
CD2 B:TYR631 3.3 16.0 1.0
OH B:TYR547 3.4 18.3 1.0
N B:TYR631 3.6 14.9 1.0
OH B:TYR666 3.6 17.8 1.0
CA B:TYR631 3.6 14.7 1.0
CG B:TYR631 3.7 14.8 1.0
O B:HOH2343 3.9 13.4 1.0
OG B:SER630 4.0 18.4 1.0
CZ B:TYR666 4.1 17.0 1.0
O B:HOH2477 4.1 19.0 1.0
C16 B:5242322 4.3 15.8 1.0
CZ B:TYR547 4.4 16.8 1.0
CE1 B:TYR666 4.5 16.2 1.0
CE2 B:TYR631 4.5 16.4 1.0
C B:SER630 4.6 16.1 1.0
O21 B:5242322 4.6 16.0 1.0
CE2 B:TYR666 4.7 17.0 1.0
CH2 B:TRP659 4.7 14.3 1.0
CG2 B:VAL656 4.8 12.5 1.0
CB B:SER630 4.8 16.0 1.0
CE2 B:TYR547 5.0 15.1 1.0

Reference:

D.E.Kaelin, A.L.Smenton, G.J.Eiermann, H.He, B.Leiting, K.A.Lyons, R.A.Patel, S.B.Patel, A.Petrov, G.Scapin, J.K.Wu, N.A.Thornberry, A.E.Weber, J.L.Duffy. 4-Arylcyclohexylalanine Analogs As Potent, Selective, and Orally Active Inhibitors of Dipeptidyl Peptidase IV. Bioorg.Med.Chem.Lett. V. 17 5806 2007.
ISSN: ISSN 0960-894X
PubMed: 17851076
DOI: 10.1016/J.BMCL.2007.08.049
Page generated: Mon Jul 14 14:14:20 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