Chlorine in PDB 3l3n: Testis Ace Co-Crystal Structure with Novel Inhibitor Lisw

All present enzymatic activity of Testis Ace Co-Crystal Structure with Novel Inhibitor Lisw:
3.4.15.1;

The structure of Testis Ace Co-Crystal Structure with Novel Inhibitor Lisw, PDB code: 3l3n was solved by J.M.Watermeyer, W.L.Kroger, H.G.O'neil, B.T.Sewell, E.D.Sturrock, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.00 / 2.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	56.383, 84.789, 133.958, 90.00, 90.00, 90.00
R / Rfree (%)	22.6 / 26.6

The structure of Testis Ace Co-Crystal Structure with Novel Inhibitor Lisw also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Chlorine atom in the Testis Ace Co-Crystal Structure with Novel Inhibitor Lisw (pdb code 3l3n). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Testis Ace Co-Crystal Structure with Novel Inhibitor Lisw, PDB code: 3l3n:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Testis Ace Co-Crystal Structure with Novel Inhibitor Lisw


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Testis Ace Co-Crystal Structure with Novel Inhibitor Lisw within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl702 b:27.9 occ:1.00 NE A:ARG186 3.1 16.5 1.0 NH1 A:ARG186 3.2 16.2 1.0 NH1 A:ARG489 3.2 19.8 1.0 NE1 A:TRP485 3.3 20.2 1.0 CZ A:ARG186 3.6 15.2 1.0 CZ2 A:TRP486 3.7 18.4 1.0 O A:HOH1016 3.7 16.9 1.0 NE A:ARG489 3.7 20.2 1.0 CZ A:ARG489 3.7 20.9 1.0 CB A:ASP507 3.9 23.4 1.0 CE2 A:TRP485 4.1 19.4 1.0 CH2 A:TRP486 4.1 20.1 1.0 CZ2 A:TRP485 4.1 21.6 1.0 CD A:ARG186 4.2 16.1 1.0 CD1 A:TRP485 4.4 20.1 1.0 CE2 A:TRP486 4.4 19.3 1.0 CZ2 A:TRP182 4.5 15.1 1.0 O A:ASP507 4.5 20.4 1.0 O A:HOH1028 4.7 22.4 1.0 CG A:ASP507 4.7 24.3 1.0 C A:ASP507 4.8 21.0 1.0 NH2 A:ARG489 4.8 20.4 1.0 CD A:ARG489 4.9 23.6 1.0 NE1 A:TRP486 4.9 20.0 1.0 CA A:ASP507 4.9 21.7 1.0 NH2 A:ARG186 4.9 13.8 1.0

Chlorine binding site 2 out of 2 in the Testis Ace Co-Crystal Structure with Novel Inhibitor Lisw


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Testis Ace Co-Crystal Structure with Novel Inhibitor Lisw within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl703 b:19.7 occ:1.00 OH A:TYR224 2.9 22.3 1.0 O A:HOH1001 3.0 14.8 1.0 NE A:ARG522 3.3 19.4 1.0 CE1 A:TYR224 3.5 21.3 1.0 CG2 A:ILE521 3.5 16.4 1.0 CB A:PRO519 3.6 16.9 1.0 CB A:ARG522 3.6 18.2 1.0 N A:ARG522 3.6 17.1 1.0 CZ A:TYR224 3.6 21.6 1.0 NH2 A:ARG522 3.7 22.2 1.0 CE A:MET223 3.7 31.8 1.0 CB A:PRO407 3.7 17.7 1.0 CZ A:ARG522 3.9 21.4 1.0 CG A:PRO407 4.0 18.9 1.0 CA A:ARG522 4.0 18.5 1.0 CG A:ARG522 4.1 18.8 1.0 CD A:ARG522 4.3 19.6 1.0 C A:ILE521 4.5 17.0 1.0 CG A:PRO519 4.6 18.0 1.0 N A:ILE521 4.6 15.4 1.0 C A:PRO519 4.6 17.9 1.0 O A:HOH1031 4.7 15.0 1.0 SD A:MET223 4.7 31.2 1.0 CA A:PRO519 4.7 17.8 1.0 CB A:ILE521 4.8 17.0 1.0 O A:PRO519 4.8 18.9 1.0 CD1 A:TYR224 4.8 20.7 1.0 CA A:ILE521 4.8 16.7 1.0 CD A:PRO407 4.8 18.7 1.0 CE2 A:TYR224 4.9 21.7 1.0 N A:TYR520 5.0 17.9 1.0

J.M.Watermeyer, W.L.Kroger, H.G.O'neill, B.T.Sewell, E.D.Sturrock. Characterization of Domain-Selective Inhibitor Binding in Angiotensin-Converting Enzyme Using A Novel Derivative of Lisinopril. Biochem.J. V. 428 67 2010.
ISSN: ISSN 0264-6021
PubMed: 20233165
DOI: 10.1042/BJ20100056