Chlorine in PDB 4c2o: Crystal Structure of Human Testis Angiotensin-I Converting Enzyme Mutant D465T

All present enzymatic activity of Crystal Structure of Human Testis Angiotensin-I Converting Enzyme Mutant D465T:
3.4.15.1;

The structure of Crystal Structure of Human Testis Angiotensin-I Converting Enzyme Mutant D465T, PDB code: 4c2o 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)	44.18 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	56.030, 84.850, 133.890, 90.00, 90.00, 90.00
R / Rfree (%)	18.186 / 21.348

The structure of Crystal Structure of Human Testis Angiotensin-I Converting Enzyme Mutant D465T 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 D465T (pdb code 4c2o). 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 D465T, PDB code: 4c2o:
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 D465T


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 D465T within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1627 b:32.8 occ:1.00 O A:HOH2321 2.0 29.3 1.0 OH A:TYR224 2.8 12.8 1.0 CG2 A:ILE521 3.0 16.9 1.0 N A:ARG522 3.2 11.3 1.0 NE A:ARG522 3.5 14.5 1.0 CB A:ARG522 3.5 11.9 1.0 CB A:PRO519 3.5 10.8 1.0 CE1 A:TYR224 3.5 12.5 1.0 CZ A:TYR224 3.6 12.5 1.0 CA A:ARG522 3.8 11.3 1.0 CB A:PRO407 3.9 11.1 1.0 CG A:ARG522 3.9 12.8 1.0 CG A:PRO407 4.1 11.3 1.0 C A:ILE521 4.2 12.5 1.0 NH2 A:ARG522 4.2 17.3 1.0 CB A:ILE521 4.2 16.0 1.0 N A:ILE521 4.3 12.5 1.0 CD A:ARG522 4.3 13.7 1.0 CZ A:ARG522 4.3 15.6 1.0 CA A:ILE521 4.4 13.6 1.0 C A:PRO519 4.5 10.8 1.0 CG A:PRO519 4.5 10.8 1.0 CA A:PRO519 4.6 10.8 1.0 O A:PRO519 4.6 11.6 1.0 N A:TYR520 4.7 11.0 1.0 CD1 A:TYR224 4.8 12.7 1.0 CG1 A:ILE521 4.9 17.8 1.0 CE2 A:TYR224 5.0 12.4 1.0 O3B A:MLA1630 5.0 16.8 1.0 C A:TYR520 5.0 11.5 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Human Testis Angiotensin-I Converting Enzyme Mutant D465T


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 D465T within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1628 b:12.8 occ:1.00 NE A:ARG186 3.2 12.1 1.0 O A:HOH2319 3.2 12.1 1.0 NH2 A:ARG186 3.2 11.7 1.0 NE1 A:TRP485 3.3 12.3 1.0 NH2 A:ARG489 3.3 12.7 1.0 CZ2 A:TRP486 3.5 10.8 1.0 CZ A:ARG186 3.7 12.2 1.0 CH2 A:TRP486 3.9 10.9 1.0 CB A:ASP507 3.9 11.2 1.0 CZ A:ARG489 3.9 12.7 1.0 NE A:ARG489 3.9 12.8 1.0 CE2 A:TRP485 4.0 12.8 1.0 CZ2 A:TRP485 4.1 13.2 1.0 CZ2 A:TRP182 4.3 11.2 1.0 CD1 A:TRP485 4.3 12.2 1.0 CD A:ARG186 4.4 12.6 1.0 CE2 A:TRP486 4.4 11.0 1.0 O A:HOH2111 4.6 10.9 1.0 O A:ASP507 4.6 11.2 1.0 CG A:ASP507 4.7 11.4 1.0 NE1 A:TRP182 4.8 11.6 1.0 C A:ASP507 4.8 11.1 1.0 CE2 A:TRP182 4.9 11.4 1.0 CA A:ASP507 4.9 11.2 1.0 NH1 A:ARG489 4.9 11.9 1.0 NE1 A:TRP486 5.0 11.2 1.0 CZ3 A:TRP486 5.0 11.3 1.0 OD2 A:ASP507 5.0 11.9 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