Zinc in PDB 2e1w: Crystal Structure of Adenosine Deaminase Complexed with Potent Inhibitors

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

The structure of Crystal Structure of Adenosine Deaminase Complexed with Potent Inhibitors, PDB code: 2e1w was solved by T.Kinoshita, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.79 / 2.50
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	78.410, 78.410, 137.460, 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 Potent Inhibitors (pdb code 2e1w). 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 Potent Inhibitors, PDB code: 2e1w:

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


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 Potent Inhibitors within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn400 b:16.7 occ:1.00 NE2 A:HIS17 2.0 2.6 1.0 NE2 A:HIS15 2.0 8.1 1.0 OD2 A:ASP295 2.2 18.2 1.0 O A:HOH521 2.5 20.0 1.0 CE1 A:HIS214 2.6 14.5 1.0 CD2 A:HIS17 2.8 2.6 1.0 CD2 A:HIS15 3.0 9.6 1.0 CE1 A:HIS15 3.2 11.6 1.0 CE1 A:HIS17 3.2 4.9 1.0 CG A:ASP295 3.3 22.2 1.0 NE2 A:HIS214 3.4 12.8 1.0 ND1 A:HIS214 3.7 12.5 1.0 OD1 A:ASP295 3.7 24.5 1.0 O9 A:FR61 3.7 20.1 1.0 NE2 A:HIS238 3.9 10.2 1.0 C8 A:FR61 4.1 17.1 1.0 CG A:HIS17 4.1 4.8 1.0 CG A:HIS15 4.2 7.0 1.0 ND1 A:HIS15 4.3 8.6 1.0 ND1 A:HIS17 4.3 3.1 1.0 N10 A:FR61 4.4 21.0 1.0 O A:HOH520 4.4 20.0 1.0 CB A:ASP295 4.6 18.2 1.0 CE1 A:HIS238 4.6 9.4 1.0 CD2 A:HIS214 4.6 7.3 1.0 CG A:HIS214 4.7 10.2 1.0 C5 A:FR61 4.8 16.0 1.0 O A:HOH502 4.8 33.0 1.0 O A:HOH501 4.8 43.6 1.0 O A:HIS15 4.9 9.5 1.0

T.Terasaka, H.Okumura, K.Tsuji, T.Kato, I.Nakanishi, T.Kinoshita, Y.Kato, M.Kuno, N.Seki, Y.Naoe, T.Inoue, K.Tanaka, K.Nakamura. Structure-Based Design and Synthesis of Non-Nucleoside, Potent, and Orally Bioavailable Adenosine Deaminase Inhibitors J.Med.Chem. V. 47 2728 2004.
ISSN: ISSN 0022-2623
PubMed: 15139750
DOI: 10.1021/JM0499559