Zinc in PDB 1qxl: Crystal Structure of Adenosine Deaminase Complexed with FR235380

All present enzymatic activity of Crystal Structure of Adenosine Deaminase Complexed with FR235380:
3.5.4.4;

The structure of Crystal Structure of Adenosine Deaminase Complexed with FR235380, PDB code: 1qxl was solved by T.Kinoshita, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	51.25 / 2.25
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	78.370, 78.370, 137.820, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Zinc atom in the Crystal Structure of Adenosine Deaminase Complexed with FR235380 (pdb code 1qxl). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Crystal Structure of Adenosine Deaminase Complexed with FR235380, PDB code: 1qxl:

Zinc binding site 1 out of 1 in the Crystal Structure of Adenosine Deaminase Complexed with FR235380


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Adenosine Deaminase Complexed with FR235380 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn400 b:23.3 occ:1.00 NE2 A:HIS17 2.0 12.1 1.0 O A:HOH1078 2.0 25.8 1.0 NE2 A:HIS15 2.0 19.4 1.0 NE2 A:HIS214 2.3 14.7 1.0 OD1 A:ASP295 2.5 18.8 1.0 CD2 A:HIS17 2.9 18.0 1.0 CE1 A:HIS15 3.0 16.7 1.0 CD2 A:HIS15 3.1 15.5 1.0 CD2 A:HIS214 3.1 15.3 1.0 CE1 A:HIS17 3.1 13.9 1.0 CE1 A:HIS214 3.4 15.5 1.0 CG A:ASP295 3.4 22.8 1.0 OD2 A:ASP295 3.8 19.5 1.0 CG A:HIS17 4.1 18.2 1.0 ND1 A:HIS15 4.1 13.3 1.0 ND1 A:HIS17 4.2 15.6 1.0 N10 A:FR81001 4.2 20.2 1.0 NE2 A:HIS238 4.2 19.9 1.0 CG A:HIS15 4.2 14.2 1.0 CG A:HIS214 4.3 11.7 1.0 O A:HOH1002 4.4 21.1 1.0 ND1 A:HIS214 4.4 18.9 1.0 C8 A:FR81001 4.5 18.6 1.0 CD A:ARG101 4.7 11.0 1.0 CB A:ASP295 4.7 18.0 1.0 C5 A:FR81001 4.8 17.3 1.0 O9 A:FR81001 4.9 18.6 1.0 CD2 A:HIS238 5.0 22.6 1.0

T.Terasaka, T.Kinoshita, M.Kuno, N.Seki, K.Tanaka, I.Nakanishi. Structure-Based Design, Synthesis, and Structure-Activity Relationship Studies of Novel Non-Nucleoside Adenosine Deaminase Inhibitors J.Med.Chem. V. 47 3730 2004.
ISSN: ISSN 0022-2623
PubMed: 15239652
DOI: 10.1021/JM0306374