Chlorine in PDB 1uzf: Complex of the Anti-Hypertensive Drug Captopril An the Human Testicular Angiotensin I-Converting Enzyme

All present enzymatic activity of Complex of the Anti-Hypertensive Drug Captopril An the Human Testicular Angiotensin I-Converting Enzyme:
3.4.15.1;

The structure of Complex of the Anti-Hypertensive Drug Captopril An the Human Testicular Angiotensin I-Converting Enzyme, PDB code: 1uzf 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 / 2.0
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	56.650, 84.900, 133.500, 90.00, 90.00, 90.00
R / Rfree (%)	18.4 / 22.7

The structure of Complex of the Anti-Hypertensive Drug Captopril An 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 Captopril An the Human Testicular Angiotensin I-Converting Enzyme (pdb code 1uzf). 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 Captopril An the Human Testicular Angiotensin I-Converting Enzyme, PDB code: 1uzf:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Complex of the Anti-Hypertensive Drug Captopril An 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 Captopril An the Human Testicular Angiotensin I-Converting Enzyme within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl703 b:14.0 occ:1.00 O A:HOH2349 3.1 12.3 1.0 NE A:ARG186 3.1 13.0 1.0 NE1 A:TRP485 3.2 15.6 1.0 NH1 A:ARG186 3.3 13.6 1.0 NH1 A:ARG489 3.4 14.7 1.0 CZ2 A:TRP486 3.5 12.8 1.0 CZ A:ARG186 3.7 12.9 1.0 CB A:ASP507 3.7 14.0 1.0 NE A:ARG489 3.8 11.7 1.0 CH2 A:TRP486 3.8 12.7 1.0 CZ A:ARG489 3.9 14.1 1.0 CE2 A:TRP485 4.1 15.8 1.0 CD1 A:TRP485 4.3 16.0 1.0 CD A:ARG186 4.3 14.1 1.0 CZ2 A:TRP485 4.3 15.6 1.0 CE2 A:TRP486 4.4 11.8 1.0 CZ2 A:TRP182 4.4 17.1 1.0 CG A:ASP507 4.5 13.4 1.0 O A:ASP507 4.6 13.7 1.0 O A:HOH2218 4.7 14.1 1.0 C A:ASP507 4.8 13.0 1.0 CA A:ASP507 4.8 14.0 1.0 OD2 A:ASP507 4.9 15.7 1.0 NE1 A:TRP486 4.9 14.0 1.0 CZ3 A:TRP486 4.9 13.2 1.0 NE1 A:TRP182 4.9 17.8 1.0 CD A:ARG489 5.0 12.9 1.0 NH2 A:ARG489 5.0 10.3 1.0 CE2 A:TRP182 5.0 17.7 1.0

Chlorine binding site 2 out of 2 in the Complex of the Anti-Hypertensive Drug Captopril An 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 Captopril An the Human Testicular Angiotensin I-Converting Enzyme within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl704 b:17.9 occ:1.00 OH A:TYR224 3.0 16.4 1.0 O A:HOH2163 3.1 12.8 1.0 NE A:ARG522 3.1 11.6 1.0 CB A:ARG522 3.4 11.0 1.0 CB A:PRO407 3.5 11.8 1.0 CE A:MET223 3.6 23.4 1.0 NH2 A:ARG522 3.6 15.5 1.0 CB A:PRO519 3.6 9.8 1.0 CE1 A:TYR224 3.7 18.0 1.0 N A:ARG522 3.7 11.6 1.0 CZ A:TYR224 3.8 16.6 1.0 CG2 A:ILE521 3.8 9.9 1.0 CZ A:ARG522 3.8 14.3 1.0 CG A:PRO407 3.9 11.4 1.0 CG A:ARG522 3.9 10.9 1.0 CA A:ARG522 4.0 12.1 1.0 CD A:ARG522 4.1 10.3 1.0 CG A:PRO519 4.6 13.2 1.0 C A:ILE521 4.7 11.5 1.0 C A:PRO519 4.7 14.0 1.0 CA A:PRO519 4.8 12.4 1.0 O A:PRO519 4.8 14.4 1.0 N A:ILE521 4.8 10.8 1.0 CD A:PRO407 4.8 11.3 1.0 SD A:MET223 4.9 26.5 1.0 CD1 A:TYR224 4.9 15.6 1.0 CA A:PRO407 5.0 12.5 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