Chlorine in PDB 4bzs: Human Angiotenisn Converting Enzyme N-Domain in Complex with K-26

All present enzymatic activity of Human Angiotenisn Converting Enzyme N-Domain in Complex with K-26:
3.4.15.1;

The structure of Human Angiotenisn Converting Enzyme N-Domain in Complex with K-26, PDB code: 4bzs was solved by G.J.Kramer, A.Mohd, S.L.U.Schwager, G.Masuyer, K.R.Acharya, E.D.Sturrock, B.O.Bachmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.61 / 2.10
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	73.005, 77.320, 82.070, 88.69, 64.53, 75.29
R / Rfree (%)	23.314 / 27.681

The structure of Human Angiotenisn Converting Enzyme N-Domain in Complex with K-26 also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Chlorine atom in the Human Angiotenisn Converting Enzyme N-Domain in Complex with K-26 (pdb code 4bzs). 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 Angiotenisn Converting Enzyme N-Domain in Complex with K-26, PDB code: 4bzs:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Human Angiotenisn Converting Enzyme N-Domain in Complex with K-26


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Angiotenisn Converting Enzyme N-Domain in Complex with K-26 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl702 b:29.6 occ:1.00 OH A:TYR202 2.8 35.1 1.0 NE A:ARG500 3.3 26.5 1.0 CE1 A:TYR202 3.5 39.3 1.0 CB A:ARG500 3.6 25.9 1.0 CB A:PRO497 3.6 29.3 1.0 CZ A:TYR202 3.6 38.7 1.0 CG2 A:ILE499 3.7 27.4 1.0 N A:ARG500 3.7 26.0 1.0 NH2 A:ARG500 3.8 27.8 1.0 CB A:PRO385 3.8 36.0 1.0 CG A:PRO385 3.9 36.3 1.0 CZ A:ARG500 4.0 27.5 1.0 CG A:ARG500 4.0 26.2 1.0 CA A:ARG500 4.1 25.8 1.0 CG A:PRO497 4.2 29.6 1.0 CD A:ARG500 4.3 26.6 1.0 CE3 A:TRP201 4.3 44.1 1.0 CZ3 A:TRP201 4.5 43.5 1.0 C A:ILE499 4.7 27.0 1.0 C A:PRO497 4.7 27.6 1.0 N A:ILE499 4.8 27.1 1.0 CD A:PRO385 4.8 36.3 1.0 CA A:PRO497 4.8 28.9 1.0 CD1 A:TYR202 4.8 40.1 1.0 O A:PRO497 4.8 26.9 1.0 CE2 A:TYR202 4.9 38.4 1.0 CB A:ILE499 5.0 27.0 1.0

Chlorine binding site 2 out of 2 in the Human Angiotenisn Converting Enzyme N-Domain in Complex with K-26


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Human Angiotenisn Converting Enzyme N-Domain in Complex with K-26 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl702 b:27.9 occ:1.00 OH B:TYR202 2.9 29.1 1.0 NE B:ARG500 3.2 25.0 1.0 NH2 B:ARG500 3.6 26.1 1.0 CE1 B:TYR202 3.6 30.9 1.0 CB B:PRO497 3.6 27.1 1.0 CZ B:TYR202 3.6 30.5 1.0 CB B:ARG500 3.6 23.9 1.0 CB B:PRO385 3.7 26.4 1.0 CG B:PRO385 3.8 26.3 1.0 CZ B:ARG500 3.8 25.8 1.0 N B:ARG500 3.8 24.6 1.0 CG2 B:ILE499 3.9 25.5 1.0 CG B:ARG500 4.1 24.2 1.0 CE3 B:TRP201 4.1 37.3 1.0 CA B:ARG500 4.2 24.2 1.0 CD B:ARG500 4.2 24.7 1.0 CG B:PRO497 4.3 27.3 1.0 CZ3 B:TRP201 4.3 38.2 1.0 C B:PRO497 4.7 26.2 1.0 CD B:PRO385 4.7 26.6 1.0 CA B:PRO497 4.8 27.1 1.0 N B:ILE499 4.9 25.4 1.0 C B:ILE499 4.9 25.2 1.0 O B:PRO497 4.9 26.1 1.0 CD1 B:TYR202 4.9 31.6 1.0 CE2 B:TYR202 5.0 30.6 1.0 N B:TYR498 5.0 25.8 1.0

G.J.Kramer, A.Mohd, S.L.U.Schwager, G.Masuyer, K.R.Acharya, E.D.Sturrock, B.O.Bachmann. Interkingdom Pharmacology of Angiotensin-I Converting Enzyme Inhibitor Phosphonates Produced By Actinomycetes Acs Med.Chem.Lett. V. 5 346 2014.
ISSN: ISSN 1948-5875
PubMed: 24900839
DOI: 10.1021/ML4004588