Chlorine in PDB 2oc2: Structure of Testis Ace with RXPA380

All present enzymatic activity of Structure of Testis Ace with RXPA380:
3.4.15.1;

The structure of Structure of Testis Ace with RXPA380, PDB code: 2oc2 was solved by H.R.Corradi, C.S.Anthony, S.L.Schwager, P.Redelinghuys, D.Georgiadis, V.Dive, K.R.Acharya, E.D.Sturrock, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	17.12 / 2.25
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	56.514, 84.763, 133.483, 90.00, 90.00, 90.00
R / Rfree (%)	21.5 / 26.2

The structure of Structure of Testis Ace with RXPA380 also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Chlorine atom in the Structure of Testis Ace with RXPA380 (pdb code 2oc2). 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 Testis Ace with RXPA380, PDB code: 2oc2:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of Testis Ace with RXPA380


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Testis Ace with RXPA380 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl703 b:16.6 occ:1.00 O A:HOH743 3.1 8.3 1.0 NH1 A:ARG489 3.2 13.7 1.0 NE1 A:TRP485 3.2 10.1 1.0 NE A:ARG186 3.3 18.4 1.0 CZ2 A:TRP486 3.4 12.6 1.0 NH1 A:ARG186 3.5 17.3 1.0 NE A:ARG489 3.6 13.9 1.0 CZ A:ARG489 3.6 13.2 1.0 CB A:ASP507 3.8 15.2 1.0 CZ A:ARG186 3.9 17.8 1.0 CH2 A:TRP486 3.9 12.5 1.0 CE2 A:TRP485 4.0 10.6 1.0 CE2 A:TRP486 4.1 12.2 1.0 CD1 A:TRP485 4.2 9.2 1.0 CZ2 A:TRP485 4.2 10.7 1.0 CZ2 A:TRP182 4.4 16.6 1.0 O A:ASP507 4.4 14.6 1.0 CD A:ARG186 4.4 18.8 1.0 NE1 A:TRP486 4.5 12.8 1.0 CG A:ASP507 4.5 15.4 1.0 O A:HOH724 4.6 3.0 1.0 OD2 A:ASP507 4.7 16.3 1.0 CD A:ARG489 4.7 14.2 1.0 NH2 A:ARG489 4.7 13.3 1.0 C A:ASP507 4.8 14.8 1.0 CA A:ASP507 4.8 15.4 1.0 NE1 A:TRP182 5.0 16.9 1.0 CZ3 A:TRP486 5.0 13.0 1.0 CE2 A:TRP182 5.0 17.5 1.0

Chlorine binding site 2 out of 2 in the Structure of Testis Ace with RXPA380


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Testis Ace with RXPA380 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl704 b:20.2 occ:1.00 O A:HOH763 2.9 26.1 1.0 OH A:TYR224 2.9 18.9 1.0 CE1 A:TYR224 3.4 17.9 1.0 CZ A:TYR224 3.6 18.6 1.0 CB A:ARG522 3.6 13.2 1.0 NE A:ARG522 3.6 12.9 1.0 CB A:PRO519 3.6 14.0 1.0 N A:ARG522 3.7 13.6 1.0 CB A:PRO407 3.7 12.7 1.0 CE A:MET223 3.8 23.8 1.0 CG A:PRO407 3.8 13.1 1.0 CG2 A:ILE521 3.9 13.9 1.0 CA A:ARG522 4.0 13.2 1.0 NH2 A:ARG522 4.0 13.2 1.0 CG A:ARG522 4.2 13.2 1.0 CZ A:ARG522 4.3 13.5 1.0 CG A:PRO519 4.4 14.2 1.0 SD A:MET223 4.5 23.9 1.0 CD A:ARG522 4.5 12.9 1.0 O A:HOH706 4.5 9.9 1.0 C A:ILE521 4.6 13.6 1.0 CD1 A:TYR224 4.7 17.4 1.0 C A:PRO519 4.7 14.1 1.0 N A:ILE521 4.8 13.3 1.0 CA A:PRO519 4.8 14.1 1.0 CD A:PRO407 4.8 13.4 1.0 O A:PRO519 4.9 14.2 1.0 O A:TRP220 4.9 16.0 1.0 CE2 A:TYR224 4.9 18.2 1.0 CA A:ILE521 5.0 13.7 1.0

C.S.Anthony, H.R.Corradi, S.L.Schwager, P.Redelinghuys, D.Georgiadis, V.Dive, K.R.Acharya, E.D.Sturrock. The N Domain of Human Angiotensin-I Converting Enzyme: the Role of N-Glycosylation and the Crystal Structure in Complex with An N Domain Specific Phosphinic Inhibitor RXP407. J.Biol.Chem. V. 46 5473 2010.
ISSN: ISSN 0021-9258
PubMed: 20826823
DOI: 10.1074/JBC.M110.167866