Zinc in PDB 3bkl: Testis Ace Co-Crystal Structure with Ketone Ace Inhibitor Kaw

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

The structure of Testis Ace Co-Crystal Structure with Ketone Ace Inhibitor Kaw, PDB code: 3bkl was solved by J.M.Watermeyer, W.L.Kroger, H.G.O'neill, 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)	27.77 / 2.18
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	59.849, 85.038, 134.920, 90.00, 90.00, 90.00
R / Rfree (%)	20 / 24

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

Chlorine

(Cl)

2 atoms

The binding sites of Zinc atom in the Testis Ace Co-Crystal Structure with Ketone Ace Inhibitor Kaw (pdb code 3bkl). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Testis Ace Co-Crystal Structure with Ketone Ace Inhibitor Kaw, PDB code: 3bkl:

Zinc binding site 1 out of 1 in the Testis Ace Co-Crystal Structure with Ketone Ace Inhibitor Kaw


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Testis Ace Co-Crystal Structure with Ketone Ace Inhibitor Kaw within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn701 b:13.4 occ:1.00 NE2 A:HIS387 2.1 12.7 1.0 OE1 A:GLU411 2.1 8.0 1.0 NE2 A:HIS383 2.2 11.2 1.0 OAE A:KAW800 2.2 14.6 1.0 OAF A:KAW800 2.4 14.9 1.0 CBM A:KAW800 2.8 14.3 1.0 CE1 A:HIS383 3.0 9.1 1.0 CD A:GLU411 3.0 9.2 1.0 CE1 A:HIS387 3.1 12.3 1.0 CD2 A:HIS387 3.1 12.2 1.0 OE2 A:GLU411 3.3 7.3 1.0 CD2 A:HIS383 3.3 9.6 1.0 NBA A:KAW800 3.6 16.9 1.0 CBL A:KAW800 3.8 15.5 1.0 CBE A:KAW800 3.9 18.4 1.0 CAW A:KAW800 4.0 13.1 1.0 CAV A:KAW800 4.0 12.9 1.0 CE2 A:TYR523 4.0 8.8 1.0 OH A:TYR523 4.1 8.7 1.0 ND1 A:HIS383 4.1 8.8 1.0 ND1 A:HIS387 4.2 11.2 1.0 O A:HOH1165 4.2 10.5 1.0 CG A:HIS387 4.2 11.8 1.0 CG A:HIS383 4.3 10.4 1.0 OAC A:KAW800 4.3 21.0 1.0 CAR A:KAW800 4.4 17.3 1.0 OE2 A:GLU384 4.4 13.0 1.0 CG A:GLU411 4.4 10.5 1.0 CBG A:KAW800 4.5 17.2 1.0 CZ A:TYR523 4.5 11.4 1.0 CA A:GLU411 4.6 10.6 1.0 CBC A:KAW800 4.7 13.2 1.0 CB A:GLU411 4.8 11.6 1.0 OE1 A:GLU384 4.8 13.2 1.0 CAX A:KAW800 4.9 14.7 1.0 CD A:GLU384 5.0 11.7 1.0

J.M.Watermeyer, W.L.Kroger, H.G.O'neill, B.T.Sewell, E.D.Sturrock. Probing the Basis of Domain-Dependent Inhibition Using Novel Ketone Inhibitors of Angiotensin-Converting Enzyme Biochemistry V. 47 5942 2008.
ISSN: ISSN 0006-2960
PubMed: 18457420
DOI: 10.1021/BI8002605