Chlorine in PDB 1uze: Complex of the Anti-Hypertensive Drug Enalaprilat and the Human Testicular Angiotensin I-Converting Enzyme

The structure of Complex of the Anti-Hypertensive Drug Enalaprilat and the Human Testicular Angiotensin I-Converting Enzyme, PDB code: 1uze was solved by R.Natesh, S.L.U.Schwager, H.R.Evans, E.D.Sturrock, K.R.Acharya, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50 / 1.82
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	56.720, 85.350, 133.730, 90.00, 90.00, 90.00
R / Rfree (%)	18.8 / 21.1

The structure of Complex of the Anti-Hypertensive Drug Enalaprilat and the Human Testicular Angiotensin I-Converting Enzyme also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Chlorine atom in the Complex of the Anti-Hypertensive Drug Enalaprilat and the Human Testicular Angiotensin I-Converting Enzyme (pdb code 1uze). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Complex of the Anti-Hypertensive Drug Enalaprilat and the Human Testicular Angiotensin I-Converting Enzyme, PDB code: 1uze:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Complex of the Anti-Hypertensive Drug Enalaprilat and the Human Testicular Angiotensin I-Converting Enzyme


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Complex of the Anti-Hypertensive Drug Enalaprilat and the Human Testicular Angiotensin I-Converting Enzyme within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl703 b:14.8 occ:1.00 NE A:ARG186 3.1 13.8 1.0 O A:HOH2375 3.2 16.3 1.0 NH1 A:ARG489 3.2 12.5 1.0 NH1 A:ARG186 3.3 13.9 1.0 NE1 A:TRP485 3.3 13.0 1.0 CZ2 A:TRP486 3.5 11.7 1.0 CZ A:ARG186 3.7 15.8 1.0 CZ A:ARG489 3.8 12.4 1.0 CB A:ASP507 3.8 12.8 1.0 NE A:ARG489 3.8 11.9 1.0 CH2 A:TRP486 4.0 12.7 1.0 CE2 A:TRP485 4.1 12.5 1.0 CD A:ARG186 4.3 16.5 1.0 CD1 A:TRP485 4.3 12.1 1.0 CZ2 A:TRP485 4.3 13.1 1.0 CE2 A:TRP486 4.4 11.2 1.0 CZ2 A:TRP182 4.4 12.1 1.0 O A:ASP507 4.5 13.4 1.0 CG A:ASP507 4.5 14.0 1.0 C A:ASP507 4.7 12.5 1.0 NE1 A:TRP486 4.8 12.2 1.0 CA A:ASP507 4.8 12.1 1.0 O A:HOH2240 4.8 12.3 1.0 NH2 A:ARG489 4.8 11.3 1.0 OD2 A:ASP507 4.9 16.4 1.0 CD A:ARG489 4.9 12.5 1.0 NH2 A:ARG186 5.0 15.5 1.0

Chlorine binding site 2 out of 2 in the Complex of the Anti-Hypertensive Drug Enalaprilat and the Human Testicular Angiotensin I-Converting Enzyme


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Complex of the Anti-Hypertensive Drug Enalaprilat and the Human Testicular Angiotensin I-Converting Enzyme within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl704 b:14.3 occ:1.00 O A:HOH2172 3.1 14.3 1.0 OH A:TYR224 3.1 11.0 1.0 NE A:ARG522 3.1 12.2 1.0 CB A:ARG522 3.5 8.8 1.0 NH2 A:ARG522 3.5 12.2 1.0 CB A:PRO519 3.6 10.1 1.0 N A:ARG522 3.6 10.1 1.0 CB A:PRO407 3.6 12.4 1.0 CG2 A:ILE521 3.7 13.0 1.0 CE1 A:TYR224 3.7 10.8 1.0 CZ A:ARG522 3.8 12.3 1.0 CZ A:TYR224 3.8 10.2 1.0 CG A:PRO407 3.9 14.7 1.0 CA A:ARG522 4.0 9.8 1.0 CE A:MET223 4.0 18.0 1.0 CG A:ARG522 4.0 9.2 1.0 CD A:ARG522 4.2 11.8 1.0 C A:ILE521 4.6 9.9 1.0 CG A:PRO519 4.6 10.2 1.0 N A:ILE521 4.6 9.3 1.0 C A:PRO519 4.7 12.8 1.0 CA A:PRO519 4.7 10.5 1.0 O A:PRO519 4.8 13.1 1.0 O A:HOH2339 4.8 12.0 1.0 CD A:PRO407 4.9 11.9 1.0 CB A:ILE521 4.9 11.8 1.0 CA A:ILE521 4.9 9.9 1.0 N A:TYR520 4.9 11.4 1.0 CD1 A:TYR224 5.0 10.8 1.0

R.Natesh, S.L.U.Schwager, H.R.Evans, E.D.Sturrock, K.R.Acharya. Structural Details on the Binding of Antihypertensive Drugs Captopril and Enalaprilat to Human Testicular Angiotensin I-Converting Enzyme Biochemistry V. 43 8718 2004.
ISSN: ISSN 0006-2960
PubMed: 15236580
DOI: 10.1021/BI049480N