Calcium in PDB 3k3w: Thermostable Penicillin G Acylase From Alcaligenes Faecalis in Orthorhombic Form

All present enzymatic activity of Thermostable Penicillin G Acylase From Alcaligenes Faecalis in Orthorhombic Form:
3.5.1.11;

The structure of Thermostable Penicillin G Acylase From Alcaligenes Faecalis in Orthorhombic Form, PDB code: 3k3w was solved by N.K.Varshney, R.S.Kumar, Z.Ignatova, E.Dodson, C.G.Suresh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.82 / 3.31
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	72.929, 86.016, 260.181, 90.00, 90.00, 90.00
R / Rfree (%)	28.1 / 31.5

The binding sites of Calcium atom in the Thermostable Penicillin G Acylase From Alcaligenes Faecalis in Orthorhombic Form (pdb code 3k3w). 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 Thermostable Penicillin G Acylase From Alcaligenes Faecalis in Orthorhombic Form, PDB code: 3k3w:

Calcium binding site 1 out of 1 in the Thermostable Penicillin G Acylase From Alcaligenes Faecalis in Orthorhombic Form


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Thermostable Penicillin G Acylase From Alcaligenes Faecalis in Orthorhombic Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca552 b:30.1 occ:1.00 OE2 A:GLU153 2.0 38.1 1.0 OD1 B:ASP73 2.3 27.2 1.0 OD2 B:ASP73 2.4 27.1 1.0 O B:VAL75 2.4 29.8 1.0 OD2 B:ASP252 2.4 26.9 1.0 CG B:ASP73 2.7 27.1 1.0 OD1 B:ASP76 2.7 31.1 1.0 CD A:GLU153 3.2 38.0 1.0 C B:VAL75 3.4 29.8 1.0 CG B:ASP252 3.4 26.9 1.0 CA B:ASP76 3.7 31.0 1.0 CG A:GLU153 3.8 38.0 1.0 CB B:ASP252 3.8 27.0 1.0 CG B:ASP76 3.8 31.0 1.0 N B:ASP76 3.9 30.4 1.0 OD1 A:ASN151 3.9 34.8 1.0 OE1 A:GLU153 4.2 38.0 1.0 CB B:ASP73 4.2 27.2 1.0 CB B:ASP76 4.4 30.9 1.0 O B:ILE205 4.5 42.3 1.0 OD1 B:ASP252 4.5 26.9 1.0 CA B:VAL75 4.6 29.4 1.0 N B:VAL75 4.7 28.9 1.0 NH2 B:ARG199 4.8 38.0 1.0 OD2 B:ASP76 4.8 31.0 1.0 C B:ASP76 4.8 31.5 1.0 N B:ILE77 4.9 32.2 1.0 CA B:ASP73 5.0 27.2 1.0

N.K.Varshney, R.S.Kumar, Z.Ignatova, A.Prabhune, A.Pundle, E.Dodson, C.G.Suresh. Crystallization and X-Ray Structure Analysis of A Thermostable Penicillin G Acylase From Alcaligenes Faecalis. Acta Crystallogr.,Sect.F V. 68 273 2012.
ISSN: ESSN 1744-3091
PubMed: 22442220
DOI: 10.1107/S1744309111053930