Chlorine in PDB 5amb: Crystal Structure of the Angiotensin-1 Converting Enzyme N- Domain in Complex with Amyloid-Beta 35-42

All present enzymatic activity of Crystal Structure of the Angiotensin-1 Converting Enzyme N- Domain in Complex with Amyloid-Beta 35-42:
3.4.15.1;

The structure of Crystal Structure of the Angiotensin-1 Converting Enzyme N- Domain in Complex with Amyloid-Beta 35-42, PDB code: 5amb was solved by G.Masuyer, K.M.Larmuth, R.G.Douglas, 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)	74.51 / 1.55
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	72.979, 76.950, 83.219, 88.63, 64.14, 75.22
R / Rfree (%)	15.75 / 18.115

The structure of Crystal Structure of the Angiotensin-1 Converting Enzyme N- Domain in Complex with Amyloid-Beta 35-42 also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of the Angiotensin-1 Converting Enzyme N- Domain in Complex with Amyloid-Beta 35-42 (pdb code 5amb). 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 the Angiotensin-1 Converting Enzyme N- Domain in Complex with Amyloid-Beta 35-42, PDB code: 5amb:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the Angiotensin-1 Converting Enzyme N- Domain in Complex with Amyloid-Beta 35-42


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 the Angiotensin-1 Converting Enzyme N- Domain in Complex with Amyloid-Beta 35-42 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1002 b:24.0 occ:1.00 OH A:TYR202 3.0 21.4 1.0 O A:HOH2200 3.1 24.4 1.0 NE A:ARG500 3.2 20.8 1.0 NH2 A:ARG500 3.5 26.2 1.0 CB A:ARG500 3.6 20.7 1.0 N A:ARG500 3.7 19.7 1.0 CB A:PRO385 3.7 23.7 1.0 CB A:PRO497 3.7 22.2 1.0 CE2 A:TYR202 3.8 24.2 1.0 CZ A:ARG500 3.8 23.7 1.0 CG2 A:ILE499 3.8 21.7 1.0 CZ A:TYR202 3.9 21.8 1.0 CG A:PRO385 3.9 24.5 1.0 CE3 A:TRP201 3.9 28.1 1.0 CZ3 A:TRP201 3.9 25.1 1.0 CG A:ARG500 4.0 21.4 1.0 CA A:ARG500 4.1 19.4 1.0 CD A:ARG500 4.2 21.4 1.0 CG A:PRO497 4.6 23.1 1.0 N A:ILE499 4.6 20.1 1.0 C A:PRO497 4.7 20.5 1.0 C A:ILE499 4.7 19.0 1.0 CD A:PRO385 4.7 21.3 1.0 CA A:PRO497 4.8 21.9 1.0 N A:TYR498 4.9 20.5 1.0 O A:HOH2393 4.9 25.9 1.0 O A:PRO497 4.9 23.3 1.0 CA A:ILE499 5.0 20.6 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the Angiotensin-1 Converting Enzyme N- Domain in Complex with Amyloid-Beta 35-42


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 the Angiotensin-1 Converting Enzyme N- Domain in Complex with Amyloid-Beta 35-42 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1002 b:29.9 occ:1.00 OH B:TYR202 3.0 29.8 1.0 O B:HOH2144 3.1 30.6 1.0 NE B:ARG500 3.2 25.9 1.0 NH2 B:ARG500 3.5 26.7 1.0 CB B:ARG500 3.6 23.5 1.0 CB B:PRO497 3.6 24.9 1.0 CB B:PRO385 3.7 29.8 1.0 N B:ARG500 3.7 21.4 1.0 CE2 B:TYR202 3.8 33.5 1.0 CZ B:ARG500 3.8 25.9 1.0 CG2 B:ILE499 3.8 26.1 1.0 CZ B:TYR202 3.9 32.7 1.0 CE3 B:TRP201 3.9 34.2 1.0 CZ3 B:TRP201 3.9 33.5 1.0 CG B:PRO385 3.9 32.5 1.0 CG B:ARG500 4.0 25.1 1.0 CA B:ARG500 4.1 21.8 1.0 CD B:ARG500 4.2 23.7 1.0 CG B:PRO497 4.5 30.9 1.0 N B:ILE499 4.6 22.3 1.0 C B:PRO497 4.7 23.3 1.0 C B:ILE499 4.7 24.3 1.0 CA B:PRO497 4.8 22.7 1.0 CD B:PRO385 4.8 32.5 1.0 O B:HOH2287 4.8 27.9 1.0 O B:PRO497 4.9 25.1 1.0 N B:TYR498 4.9 22.2 1.0

K.M.Larmuth, G.Masuyer, R.G.Douglas, E.D.Sturrock, K.R.Acharya. The Kinetic and Structural Characterisation of Amyloid-Beta Metabolism By Human Angiotensin-1- Converting Enzyme (Ace) Febs J. V. 283 1060 2016.
ISSN: ISSN 1742-464X
PubMed: 26748546
DOI: 10.1111/FEBS.13647