Chlorine in PDB 2c6f: Structure of Human Somatic Angiontensin-I Converting Enzyme N Domain

All present enzymatic activity of Structure of Human Somatic Angiontensin-I Converting Enzyme N Domain:
3.4.15.1;

The structure of Structure of Human Somatic Angiontensin-I Converting Enzyme N Domain, PDB code: 2c6f was solved by H.R.Corradi, S.L.U.Schwager, A.Nichinda, 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)	47.91 / 3.01
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	101.120, 211.320, 171.270, 90.00, 90.00, 90.00
R / Rfree (%)	22.4 / 27.3

The structure of Structure of Human Somatic Angiontensin-I Converting Enzyme N Domain also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Chlorine atom in the Structure of Human Somatic Angiontensin-I Converting Enzyme N Domain (pdb code 2c6f). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of Human Somatic Angiontensin-I Converting Enzyme N Domain, PDB code: 2c6f:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of Human Somatic Angiontensin-I Converting Enzyme N Domain


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Human Somatic Angiontensin-I Converting Enzyme N Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl702 b:37.0 occ:1.00 NE B:ARG500 3.1 26.4 1.0 OH B:TYR202 3.2 40.3 1.0 CB B:PRO497 3.3 23.8 1.0 CB B:PRO385 3.5 28.6 1.0 CB B:ARG500 3.5 25.1 1.0 NH2 B:ARG500 3.5 21.8 1.0 CE3 B:TRP201 3.7 41.6 1.0 CZ B:ARG500 3.8 25.1 1.0 CZ3 B:TRP201 3.8 42.3 1.0 CG B:PRO385 3.8 29.2 1.0 N B:ARG500 4.0 25.4 1.0 CG2 B:ILE499 4.0 24.4 1.0 CG B:ARG500 4.0 25.6 1.0 CZ B:TYR202 4.1 39.0 1.0 CE1 B:TYR202 4.1 38.5 1.0 CD B:ARG500 4.1 26.4 1.0 CA B:ARG500 4.2 25.2 1.0 CG B:PRO497 4.2 23.3 1.0 CA B:PRO497 4.6 23.9 1.0 C B:PRO497 4.7 25.3 1.0 C B:ILE499 4.9 24.7 1.0 N B:TYR498 4.9 25.0 1.0 CD B:PRO385 4.9 28.4 1.0 N B:ILE499 5.0 23.2 1.0 CA B:PRO385 5.0 30.5 1.0

Chlorine binding site 2 out of 2 in the Structure of Human Somatic Angiontensin-I Converting Enzyme N Domain


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Human Somatic Angiontensin-I Converting Enzyme N Domain within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl703 b:29.1 occ:1.00 OH A:TYR202 2.8 30.1 1.0 NE A:ARG500 3.1 36.6 1.0 CG A:ARG500 3.1 34.7 1.0 CE1 A:TYR202 3.6 28.9 1.0 CZ A:TYR202 3.6 30.0 1.0 CB A:PRO497 3.6 22.8 1.0 CD A:ARG500 3.7 35.4 1.0 CB A:ARG500 3.8 30.1 1.0 CE3 A:TRP201 3.8 37.2 1.0 CG2 A:ILE499 3.8 23.9 1.0 CB A:PRO385 3.9 28.2 1.0 CG A:PRO385 4.0 27.8 1.0 CZ3 A:TRP201 4.0 38.1 1.0 CZ A:ARG500 4.1 36.8 1.0 N A:ARG500 4.2 26.7 1.0 NH2 A:ARG500 4.3 39.1 1.0 CA A:ARG500 4.4 28.3 1.0 O A:TRP198 4.4 29.9 1.0 CG A:PRO497 4.6 22.4 1.0 C A:ILE499 4.8 25.0 1.0 CA A:PRO497 4.9 23.0 1.0 C A:PRO497 4.9 22.8 1.0 CD1 A:TYR202 4.9 30.1 1.0 CD A:PRO385 4.9 27.4 1.0 N A:ILE499 5.0 24.0 1.0 CE2 A:TYR202 5.0 31.1 1.0

H.R.Corradi, S.L.U.Schwager, A.T.Nchinda, E.D.Sturrock, K.R.Acharya. Crystal Structure of the N Domain of Human Somatic Angiotensin I-Converting Enzyme Provides A Structural Basis For Domain-Specific Inhibitor Design. J.Mol.Biol. V. 357 964 2006.
ISSN: ISSN 0022-2836
PubMed: 16476442
DOI: 10.1016/J.JMB.2006.01.048