Zinc in PDB 1ndv: Crystal Structure of Adenosine Deaminase Complexed with FR117016

All present enzymatic activity of Crystal Structure of Adenosine Deaminase Complexed with FR117016:
3.5.4.4;

The structure of Crystal Structure of Adenosine Deaminase Complexed with FR117016, PDB code: 1ndv was solved by T.Kinoshita, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 2.30
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	78.030, 78.030, 136.660, 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 FR117016 (pdb code 1ndv). 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 FR117016, PDB code: 1ndv:

Zinc binding site 1 out of 1 in the Crystal Structure of Adenosine Deaminase Complexed with FR117016


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 FR117016 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn400 b:30.0 occ:1.00 NE2 A:HIS17 1.9 21.9 1.0 O A:HOH1099 2.0 60.7 1.0 NE2 A:HIS15 2.0 23.9 1.0 NE2 A:HIS214 2.2 30.6 1.0 CD2 A:HIS17 2.8 25.4 1.0 OD2 A:ASP295 2.9 43.2 1.0 CE1 A:HIS15 3.0 26.9 1.0 CE1 A:HIS17 3.1 24.5 1.0 CD2 A:HIS214 3.1 29.0 1.0 CD2 A:HIS15 3.1 25.0 1.0 CE1 A:HIS214 3.3 31.4 1.0 CG A:ASP295 3.7 42.3 1.0 O A:HOH1005 3.7 33.5 1.0 OD1 A:ASP295 3.9 42.4 1.0 CG A:HIS17 4.0 26.9 1.0 ND1 A:HIS17 4.1 22.6 1.0 ND1 A:HIS15 4.1 26.0 1.0 CG A:HIS214 4.3 30.5 1.0 CG A:HIS15 4.3 24.0 1.0 ND1 A:HIS214 4.3 32.2 1.0 NE2 A:HIS238 4.3 34.5 1.0 O A:HOH1286 4.5 63.7 1.0 O A:HOH1269 4.5 70.5 1.0 NH1 A:ARG101 4.8 21.5 1.0 CD A:ARG101 4.8 16.7 1.0 N28 A:FR01001 4.9 64.3 1.0 CE1 A:HIS238 4.9 34.9 1.0

T.Terasaka, T.Kinoshita, M.Kuno, I.Nakanishi. A Highly Potent Non-Nucleoside Adenosine Deaminase Inhibitor: Efficient Drug Discovery By Intentional Lead Hybridization J.Am.Chem.Soc. V. 126 34 2004.
ISSN: ISSN 0002-7863
PubMed: 14709046
DOI: 10.1021/JA038606L