Chlorine in PDB 4c2n: Crystal Structure of Human Testis Angiotensin-I Converting Enzyme Mutant E403R

All present enzymatic activity of Crystal Structure of Human Testis Angiotensin-I Converting Enzyme Mutant E403R:
3.4.15.1;

The structure of Crystal Structure of Human Testis Angiotensin-I Converting Enzyme Mutant E403R, PDB code: 4c2n was solved by G.Masuyer, C.J.Yates, S.L.U.Schwager, A.Mohd, 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)	28.65 / 2.59
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	56.103, 84.207, 133.174, 90.00, 90.00, 90.00
R / Rfree (%)	20.768 / 26.31

The structure of Crystal Structure of Human Testis Angiotensin-I Converting Enzyme Mutant E403R also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Human Testis Angiotensin-I Converting Enzyme Mutant E403R (pdb code 4c2n). 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 Structure of Human Testis Angiotensin-I Converting Enzyme Mutant E403R, PDB code: 4c2n:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Human Testis Angiotensin-I Converting Enzyme Mutant E403R


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Human Testis Angiotensin-I Converting Enzyme Mutant E403R within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl702 b:29.8 occ:1.00 OH A:TYR224 2.8 30.6 1.0 O A:HOH2026 3.0 30.9 1.0 NE A:ARG522 3.1 28.1 1.0 NH2 A:ARG522 3.5 28.0 1.0 CE1 A:TYR224 3.5 31.0 1.0 CZ A:TYR224 3.5 30.9 1.0 CB A:PRO407 3.6 29.0 1.0 CB A:ARG522 3.6 27.3 1.0 CB A:PRO519 3.6 27.4 1.0 CE A:MET223 3.7 35.1 1.0 CG A:PRO407 3.7 29.1 1.0 CZ A:ARG522 3.7 28.2 1.0 N A:ARG522 3.7 27.0 1.0 CG2 A:ILE521 3.9 27.4 1.0 CG A:ARG522 4.0 27.3 1.0 CA A:ARG522 4.1 27.0 1.0 CD A:ARG522 4.1 27.5 1.0 CG A:PRO519 4.5 27.2 1.0 C A:PRO519 4.6 26.7 1.0 C A:ILE521 4.7 27.0 1.0 O A:PRO519 4.7 26.7 1.0 N A:ILE521 4.7 26.9 1.0 CD1 A:TYR224 4.7 31.0 1.0 CA A:PRO519 4.8 27.1 1.0 CD A:PRO407 4.8 29.3 1.0 CE2 A:TYR224 4.8 31.0 1.0 N A:TYR520 4.9 26.6 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Human Testis Angiotensin-I Converting Enzyme Mutant E403R


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Human Testis Angiotensin-I Converting Enzyme Mutant E403R within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl703 b:26.4 occ:1.00 NE A:ARG186 3.2 27.8 1.0 O A:HOH2082 3.2 23.3 1.0 NH2 A:ARG186 3.2 26.7 1.0 NE1 A:TRP485 3.4 29.0 1.0 NH2 A:ARG489 3.5 29.1 1.0 CZ A:ARG186 3.7 27.3 1.0 CZ2 A:TRP486 3.7 29.8 1.0 CB A:ASP507 3.7 28.4 1.0 NE A:ARG489 3.9 29.0 1.0 CZ A:ARG489 4.0 28.8 1.0 CH2 A:TRP486 4.0 29.5 1.0 CE2 A:TRP485 4.2 28.9 1.0 CD A:ARG186 4.3 28.6 1.0 CZ2 A:TRP182 4.3 27.7 1.0 CD1 A:TRP485 4.4 29.7 1.0 O A:ASP507 4.4 27.9 1.0 CZ2 A:TRP485 4.4 28.5 1.0 CG A:ASP507 4.5 28.5 1.0 CE2 A:TRP486 4.5 29.9 1.0 C A:ASP507 4.6 28.0 1.0 CA A:ASP507 4.7 28.7 1.0 O A:HOH2016 4.8 23.8 1.0 OD2 A:ASP507 4.9 28.8 1.0 NH1 A:ARG489 4.9 28.4 1.0 CD A:ARG489 5.0 29.1 1.0 CE2 A:TRP182 5.0 27.8 1.0 NH1 A:ARG186 5.0 27.3 1.0

C.J.Yates, G.Masuyer, S.L.U.Schwager, A.Mohd, E.D.Sturrock, K.R.Acharya. Molecular and Thermodynamic Mechanisms of the Chloride Dependent Human Angiotensin-I Converting Enzyme (Ace) J.Biol.Chem. V. 289 1798 2014.
ISSN: ISSN 0021-9258
PubMed: 24297181
DOI: 10.1074/JBC.M113.512335