Chlorine in PDB 1v79: Crystal Structures of Adenosine Deaminase Complexed with Potent Inhibitors

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

The structure of Crystal Structures of Adenosine Deaminase Complexed with Potent Inhibitors, PDB code: 1v79 was solved by T.Kinoshita, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	12.00 / 2.50
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	77.230, 77.230, 135.100, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / n/a

The structure of Crystal Structures of Adenosine Deaminase Complexed with Potent Inhibitors also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Chlorine atom in the Crystal Structures of Adenosine Deaminase Complexed with Potent Inhibitors (pdb code 1v79). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structures of Adenosine Deaminase Complexed with Potent Inhibitors, PDB code: 1v79:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structures of Adenosine Deaminase Complexed with Potent Inhibitors


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structures of Adenosine Deaminase Complexed with Potent Inhibitors within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1001 b:30.0 occ:1.00 CL1 A:FR71001 0.0 30.0 1.0 C28 A:FR71001 1.8 23.5 1.0 C27 A:FR71001 2.7 19.8 1.0 C29 A:FR71001 2.7 19.9 1.0 O A:HOH1097 2.9 44.3 1.0 CL2 A:FR71001 3.1 22.8 1.0 O A:HOH1024 3.6 28.0 1.0 CD2 A:LEU62 3.6 13.2 1.0 N A:ASP185 3.7 12.7 1.0 CA A:GLY184 3.8 7.8 1.0 CD1 A:LEU62 3.9 9.1 1.0 C26 A:FR71001 4.0 20.2 1.0 C22 A:FR71001 4.0 18.0 1.0 C A:GLY184 4.1 12.2 1.0 ND1 A:HIS157 4.3 11.2 1.0 CE A:MET155 4.3 7.9 1.0 CE1 A:HIS157 4.4 8.7 1.0 CG A:LEU62 4.5 11.2 1.0 C25 A:FR71001 4.5 18.9 1.0 CB A:ASP185 4.5 9.4 1.0 CA A:ASP185 4.6 14.1 1.0

Chlorine binding site 2 out of 2 in the Crystal Structures of Adenosine Deaminase Complexed with Potent Inhibitors


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structures of Adenosine Deaminase Complexed with Potent Inhibitors within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1001 b:22.8 occ:1.00 CL2 A:FR71001 0.0 22.8 1.0 C29 A:FR71001 1.7 19.9 1.0 C22 A:FR71001 2.7 18.0 1.0 C28 A:FR71001 2.7 23.5 1.0 C2 A:FR71001 3.0 18.2 1.0 CL1 A:FR71001 3.1 30.0 1.0 CD2 A:LEU62 3.6 13.2 1.0 O9 A:FR71001 3.8 8.8 1.0 C18 A:FR71001 3.8 14.7 1.0 C1 A:FR71001 3.8 16.0 1.0 CA A:GLY184 3.9 7.8 1.0 C25 A:FR71001 3.9 18.9 1.0 C27 A:FR71001 4.0 19.8 1.0 O A:HOH1051 4.1 28.8 1.0 O A:HOH1099 4.1 38.7 1.0 CE A:MET155 4.4 7.9 1.0 C5 A:FR71001 4.4 8.6 1.0 C26 A:FR71001 4.5 20.2 1.0 C A:GLY184 4.5 12.2 1.0 C8 A:FR71001 4.5 11.1 1.0 N A:GLY184 4.5 5.5 1.0 N2 A:FR71001 4.7 17.5 1.0 C13 A:FR71001 4.9 20.7 1.0 N A:ASP185 5.0 12.7 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