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Sodium in PDB 3hab: The Structure of DPP4 in Complex with Piperidine Fused Benzimidazole 25

Enzymatic activity of The Structure of DPP4 in Complex with Piperidine Fused Benzimidazole 25

All present enzymatic activity of The Structure of DPP4 in Complex with Piperidine Fused Benzimidazole 25:
3.4.14.5;

Protein crystallography data

The structure of The Structure of DPP4 in Complex with Piperidine Fused Benzimidazole 25, PDB code: 3hab 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 (°) 117.908, 125.645, 136.941, 90.00, 90.00, 90.00
R / Rfree (%) 16.9 / 21.1

Other elements in 3hab:

The structure of The Structure of DPP4 in Complex with Piperidine Fused Benzimidazole 25 also contains other interesting chemical elements:

Fluorine (F) 6 atoms

Sodium Binding Sites:

The binding sites of Sodium atom in the The Structure of DPP4 in Complex with Piperidine Fused Benzimidazole 25 (pdb code 3hab). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the The Structure of DPP4 in Complex with Piperidine Fused Benzimidazole 25, PDB code: 3hab:

Sodium binding site 1 out of 1 in 3hab

Go back to Sodium Binding Sites List in 3hab
Sodium binding site 1 out of 1 in the The Structure of DPP4 in Complex with Piperidine Fused Benzimidazole 25


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of The Structure of DPP4 in Complex with Piperidine Fused Benzimidazole 25 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na1

b:25.4
occ:1.00
 O A:HOH894 2.4 20.2 1.0
O A:GLY490 2.4 19.5 1.0
O A:LEU491 2.5 19.6 1.0
C A:LEU491 3.2 18.7 1.0
C A:GLY490 3.6 19.3 1.0
N A:ARG492 3.9 18.9 1.0
CA A:LEU491 3.9 18.4 1.0
CA A:ARG492 4.1 19.1 1.0
N A:LEU491 4.2 18.3 1.0
CA A:GLY490 4.7 19.0 1.0
O A:HOH1208 4.8 39.4 1.0
O A:HOH20 4.9 16.1 1.0

Reference:

S.D.Edmondson, A.Mastracchio, J.M.Cox, G.J.Eiermann, H.He, K.A.Lyons, R.A.Patel, S.B.Patel, A.Petrov, G.Scapin, J.K.Wu, S.Xu, B.Zhu, N.A.Thornberry, R.S.Roy, A.E.Weber. Aminopiperidine-Fused Imidazoles As Dipeptidyl Peptidase-IV Inhibitors Bioorg.Med.Chem.Lett. V. 19 4097 2009.
ISSN: ISSN 0960-894X
PubMed: 19539471
DOI: 10.1016/J.BMCL.2009.06.011
Page generated: Mon Oct 7 10:22:46 2024

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