Atomistry » Chlorine » PDB 7a0c-7a9a » 7a3k
Atomistry »
  Chlorine »
    PDB 7a0c-7a9a »
      7a3k »

Chlorine in PDB 7a3k: Crystal Structure of DPP8 in Complex with A B-Lactam Based Inhibitor, A296.1

Enzymatic activity of Crystal Structure of DPP8 in Complex with A B-Lactam Based Inhibitor, A296.1

All present enzymatic activity of Crystal Structure of DPP8 in Complex with A B-Lactam Based Inhibitor, A296.1:
3.4.14.5;

Protein crystallography data

The structure of Crystal Structure of DPP8 in Complex with A B-Lactam Based Inhibitor, A296.1, PDB code: 7a3k was solved by B.H.Ross, R.Huber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.05 / 2.65
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 163.264, 250.38, 261.202, 90, 90, 90
R / Rfree (%) 21.7 / 24.4

Other elements in 7a3k:

The structure of Crystal Structure of DPP8 in Complex with A B-Lactam Based Inhibitor, A296.1 also contains other interesting chemical elements:

Bromine (Br) 3 atoms
Sodium (Na) 3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of DPP8 in Complex with A B-Lactam Based Inhibitor, A296.1 (pdb code 7a3k). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Crystal Structure of DPP8 in Complex with A B-Lactam Based Inhibitor, A296.1, PDB code: 7a3k:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 7a3k

Go back to Chlorine Binding Sites List in 7a3k
Chlorine binding site 1 out of 8 in the Crystal Structure of DPP8 in Complex with A B-Lactam Based Inhibitor, A296.1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of DPP8 in Complex with A B-Lactam Based Inhibitor, A296.1 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl902

b:110.0
occ:1.00
 OH C:TYR557 3.1 71.8 1.0
CE1 C:TYR557 3.7 72.6 1.0
CZ C:TYR557 3.8 71.8 1.0
CD1 C:PHE456 4.1 74.4 1.0
CE1 C:PHE456 4.2 73.7 1.0
OE1 C:GLU465 4.2 94.2 1.0
CD C:ARG536 4.5 100.9 1.0
CG C:ARG536 4.7 97.8 1.0
CG C:PHE456 4.8 73.9 1.0
CZ C:PHE456 4.8 73.9 1.0
O C:GLU533 4.9 86.5 1.0
CD1 C:TYR557 5.0 73.4 1.0

Chlorine binding site 2 out of 8 in 7a3k

Go back to Chlorine Binding Sites List in 7a3k
Chlorine binding site 2 out of 8 in the Crystal Structure of DPP8 in Complex with A B-Lactam Based Inhibitor, A296.1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of DPP8 in Complex with A B-Lactam Based Inhibitor, A296.1 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl903

b:87.6
occ:1.00
 CD2 C:TYR720 4.1 69.1 1.0
CE2 C:TYR720 4.1 69.1 1.0
CG C:TYR720 4.4 69.4 1.0
CZ C:TYR720 4.4 69.1 1.0
O C:GLN801 4.4 73.0 1.0
CD1 C:TYR720 4.6 69.1 1.0
CE1 C:TYR720 4.6 69.2 1.0

Chlorine binding site 3 out of 8 in 7a3k

Go back to Chlorine Binding Sites List in 7a3k
Chlorine binding site 3 out of 8 in the Crystal Structure of DPP8 in Complex with A B-Lactam Based Inhibitor, A296.1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of DPP8 in Complex with A B-Lactam Based Inhibitor, A296.1 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl904

b:94.7
occ:1.00
 CD2 C:TRP132 3.8 76.7 1.0
CE2 C:TRP132 3.9 76.2 1.0
CE3 C:TRP132 4.0 76.6 1.0
CZ2 C:TRP132 4.2 75.9 1.0
CG C:TRP132 4.2 76.5 1.0
CZ3 C:TRP132 4.3 76.2 1.0
NE1 C:TRP132 4.3 75.5 1.0
CH2 C:TRP132 4.4 75.7 1.0
CD1 C:TRP132 4.5 75.7 1.0
CB C:TRP132 4.9 76.5 1.0

Chlorine binding site 4 out of 8 in 7a3k

Go back to Chlorine Binding Sites List in 7a3k
Chlorine binding site 4 out of 8 in the Crystal Structure of DPP8 in Complex with A B-Lactam Based Inhibitor, A296.1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of DPP8 in Complex with A B-Lactam Based Inhibitor, A296.1 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl905

b:95.6
occ:1.00
 OG C:SER516 3.5 68.8 1.0
O C:ALA513 4.1 78.2 1.0
O C:PRO560 4.5 84.8 1.0
CB C:SER516 4.6 67.7 1.0
O C:ILE514 4.8 70.4 1.0
O C:HOH1040 4.9 74.7 1.0
C C:THR515 5.0 66.5 1.0

Chlorine binding site 5 out of 8 in 7a3k

Go back to Chlorine Binding Sites List in 7a3k
Chlorine binding site 5 out of 8 in the Crystal Structure of DPP8 in Complex with A B-Lactam Based Inhibitor, A296.1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of DPP8 in Complex with A B-Lactam Based Inhibitor, A296.1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl902

b:91.4
occ:1.00
 OH A:TYR557 3.4 78.9 1.0
CE1 A:TYR557 3.9 79.7 1.0
OE1 A:GLU465 3.9 95.3 1.0
CD1 A:PHE456 4.0 69.8 1.0
CZ A:TYR557 4.1 80.0 1.0
CE1 A:PHE456 4.1 69.0 1.0
CG A:PHE456 4.5 70.7 1.0
CD A:ARG536 4.7 95.7 1.0
CZ A:PHE456 4.7 69.7 1.0
CD A:GLU465 5.0 93.2 1.0

Chlorine binding site 6 out of 8 in 7a3k

Go back to Chlorine Binding Sites List in 7a3k
Chlorine binding site 6 out of 8 in the Crystal Structure of DPP8 in Complex with A B-Lactam Based Inhibitor, A296.1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of DPP8 in Complex with A B-Lactam Based Inhibitor, A296.1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl903

b:98.5
occ:1.00
 OG A:SER516 4.0 70.4 1.0
O A:ALA513 4.1 75.5 1.0
O A:PRO560 4.6 86.5 1.0
O A:ILE514 4.7 71.5 1.0
C A:PRO560 4.9 88.1 1.0

Chlorine binding site 7 out of 8 in 7a3k

Go back to Chlorine Binding Sites List in 7a3k
Chlorine binding site 7 out of 8 in the Crystal Structure of DPP8 in Complex with A B-Lactam Based Inhibitor, A296.1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of DPP8 in Complex with A B-Lactam Based Inhibitor, A296.1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl902

b:89.8
occ:1.00
 OH B:TYR557 3.4 70.2 1.0
CE1 B:TYR557 4.0 69.0 1.0
CZ B:TYR557 4.2 68.9 1.0
CD1 B:PHE456 4.2 67.1 1.0
OE1 B:GLU465 4.3 87.0 1.0
CE1 B:PHE456 4.4 67.8 1.0
CG B:PHE456 4.7 67.9 1.0

Chlorine binding site 8 out of 8 in 7a3k

Go back to Chlorine Binding Sites List in 7a3k
Chlorine binding site 8 out of 8 in the Crystal Structure of DPP8 in Complex with A B-Lactam Based Inhibitor, A296.1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of DPP8 in Complex with A B-Lactam Based Inhibitor, A296.1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl903

b:96.6
occ:1.00
 OG B:SER516 3.4 65.4 1.0
O B:ALA513 4.3 73.6 1.0
CB B:SER516 4.4 65.3 1.0
O B:ILE514 4.7 70.0 1.0
N B:SER516 4.9 62.8 1.0
O B:PRO560 4.9 82.5 1.0
C B:THR515 5.0 61.6 1.0

Reference:

L.Fehr, L.A.R.Carvalho, B.H.Ross, K.Lum, A.C.Vieira, R.Kiefersauer, R.Geiss-Friedlander, M.Kaiser, T.Rodrigues, S.D.Lucas, B.F.Cravatt, R.Huber, R.Moreira. Discovery and Development of 4-Oxo-Beta-Lactams As Novel Inhibitors of Dipeptidyl Peptidases 8 and 9 To Be Published.
Page generated: Sat Jul 12 22:34:52 2025

Last articles

Mg in 6DW7
Mg in 6DW4
Mg in 6DW3
Mg in 6DUQ
Mg in 6DVK
Mg in 6DUK
Mg in 6DV9
Mg in 6DUS
Mg in 6DUH
Mg in 6DUG
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy