Calcium in PDB 1pnk: Penicillin Acylase Has A Single-Amino-Acid Catalytic Centre

All present enzymatic activity of Penicillin Acylase Has A Single-Amino-Acid Catalytic Centre:
3.5.1.11;

The structure of Penicillin Acylase Has A Single-Amino-Acid Catalytic Centre, PDB code: 1pnk was solved by H.J.Duggleby, P.C.E.Moody, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.90
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	52.120, 65.080, 76.300, 100.20, 111.44, 105.81
R / Rfree (%)	n/a / n/a

The binding sites of Calcium atom in the Penicillin Acylase Has A Single-Amino-Acid Catalytic Centre (pdb code 1pnk). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Penicillin Acylase Has A Single-Amino-Acid Catalytic Centre, PDB code: 1pnk:

Calcium binding site 1 out of 1 in the Penicillin Acylase Has A Single-Amino-Acid Catalytic Centre


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Penicillin Acylase Has A Single-Amino-Acid Catalytic Centre within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca558 b:17.8 occ:1.00 OE2 A:GLU152 2.2 15.6 1.0 OD2 B:ASP252 2.3 15.0 1.0 OD2 B:ASP73 2.5 25.6 1.0 O B:PRO205 2.5 22.7 1.0 OD1 B:ASP76 2.6 21.8 1.0 O B:VAL75 2.6 20.8 1.0 OD1 B:ASP73 2.6 29.2 1.0 CG B:ASP73 3.0 24.4 1.0 CD A:GLU152 3.4 16.0 1.0 CG B:ASP252 3.4 17.6 1.0 CG B:ASP76 3.6 19.0 1.0 C B:PRO205 3.7 22.8 1.0 C B:VAL75 3.7 21.2 1.0 CB B:ASP252 3.8 15.5 1.0 CG A:GLU152 3.9 15.5 1.0 CA B:ASP76 3.9 20.1 1.0 CG2 A:THR150 3.9 16.3 1.0 NH2 B:ARG199 4.1 20.5 1.0 N B:ASP76 4.2 20.2 1.0 CB B:ASP76 4.2 20.1 1.0 O B:HOH601 4.2 24.2 1.0 CA B:PRO205 4.2 21.0 1.0 O A:HOH214 4.3 20.9 1.0 CB B:PRO205 4.3 21.0 1.0 OE1 A:GLU152 4.4 15.3 1.0 OD1 B:ASP252 4.5 16.1 1.0 CB B:ASP73 4.5 20.1 1.0 OD2 B:ASP76 4.7 19.8 1.0 N B:ARG206 4.7 20.5 1.0 N B:VAL75 4.8 16.0 1.0 CA B:VAL75 4.9 16.2 1.0

H.J.Duggleby, S.P.Tolley, C.P.Hill, E.J.Dodson, G.Dodson, P.C.Moody. Penicillin Acylase Has A Single-Amino-Acid Catalytic Centre. Nature V. 373 264 1995.
ISSN: ISSN 0028-0836
PubMed: 7816145
DOI: 10.1038/373264A0