Chlorine in PDB 4aph: Human Angiotensin-Converting Enzyme in Complex with Angiotensin-II

All present enzymatic activity of Human Angiotensin-Converting Enzyme in Complex with Angiotensin-II:
3.4.15.1;

The structure of Human Angiotensin-Converting Enzyme in Complex with Angiotensin-II, PDB code: 4aph was solved by G.Masuyer, S.L.U.Schwager, E.D.Sturrock, R.E.Isaac, K.R.Acharya, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	71.57 / 1.99
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	56.500, 84.660, 133.970, 90.00, 90.00, 90.00
R / Rfree (%)	19.406 / 24.026

The structure of Human Angiotensin-Converting Enzyme in Complex with Angiotensin-II also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Chlorine atom in the Human Angiotensin-Converting Enzyme in Complex with Angiotensin-II (pdb code 4aph). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Human Angiotensin-Converting Enzyme in Complex with Angiotensin-II, PDB code: 4aph:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Human Angiotensin-Converting Enzyme in Complex with Angiotensin-II


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Angiotensin-Converting Enzyme in Complex with Angiotensin-II within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1626 b:24.5 occ:1.00 O A:HOH2112 2.9 13.9 1.0 OH A:TYR224 3.0 14.4 1.0 NE A:ARG522 3.4 12.0 1.0 CB A:ARG522 3.6 9.6 1.0 CE2 A:TYR224 3.6 15.0 1.0 N A:ARG522 3.6 9.3 1.0 CB A:PRO519 3.6 9.8 1.0 CZ A:TYR224 3.7 14.3 1.0 CB A:PRO407 3.7 12.7 1.0 CE A:MET223 3.8 21.8 1.0 CG2 A:ILE521 3.8 9.1 1.0 NH2 A:ARG522 3.9 13.1 1.0 CG A:PRO407 3.9 12.6 1.0 CA A:ARG522 4.0 9.5 1.0 CG A:ARG522 4.1 10.2 1.0 CZ A:ARG522 4.1 12.8 1.0 CD A:ARG522 4.3 11.2 1.0 C A:ILE521 4.5 9.3 1.0 CG A:PRO519 4.6 10.1 1.0 N A:ILE521 4.6 9.2 1.0 C A:PRO519 4.6 9.4 1.0 CA A:PRO519 4.8 9.7 1.0 O A:PRO519 4.8 9.2 1.0 O A:HOH2228 4.8 10.2 1.0 CD2 A:TYR224 4.8 14.2 1.0 CD A:PRO407 4.8 13.1 1.0 CA A:ILE521 4.9 9.3 1.0 N A:TYR520 4.9 8.9 1.0 CB A:ILE521 4.9 9.4 1.0

Chlorine binding site 2 out of 2 in the Human Angiotensin-Converting Enzyme in Complex with Angiotensin-II


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Human Angiotensin-Converting Enzyme in Complex with Angiotensin-II within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1628 b:15.2 occ:1.00 NE A:ARG186 3.2 12.6 1.0 O A:HOH2244 3.2 20.1 1.0 NE1 A:TRP485 3.4 12.7 1.0 NH2 A:ARG186 3.4 12.5 1.0 NH2 A:ARG489 3.4 9.5 1.0 CZ2 A:TRP486 3.5 11.0 1.0 CZ A:ARG186 3.7 11.9 1.0 CB A:ASP507 3.8 11.2 1.0 NE A:ARG489 3.9 9.5 1.0 CH2 A:TRP486 3.9 10.9 1.0 CZ A:ARG489 4.0 9.7 1.0 CE2 A:TRP485 4.2 13.2 1.0 CD A:ARG186 4.3 12.6 1.0 CZ2 A:TRP485 4.3 12.8 1.0 CZ2 A:TRP182 4.3 10.4 1.0 CE2 A:TRP486 4.3 10.8 1.0 CD1 A:TRP485 4.4 12.7 1.0 O A:HOH2086 4.5 7.2 1.0 O A:ASP507 4.5 11.0 1.0 CG A:ASP507 4.6 11.1 1.0 C A:ASP507 4.7 10.8 1.0 NE1 A:TRP486 4.8 11.2 1.0 CA A:ASP507 4.8 11.3 1.0 NE1 A:TRP182 4.9 10.6 1.0 CE2 A:TRP182 4.9 10.7 1.0 OD2 A:ASP507 4.9 9.6 1.0 CZ3 A:TRP486 5.0 10.7 1.0

G.Masuyer, S.L.U.Schwager, E.D.Sturrock, R.E.Isaac, K.R.Acharya. Molecular Recognition and Regulation of Human Angiotensin-I Converting Enzyme (Ace) Activity By Natural Inhibitory Peptides. Sci.Rep. V. 2 717 2012.
ISSN: ISSN 2045-2322
PubMed: 23056909
DOI: 10.1038/SREP00717