Calcium in PDB 3aj8: X-Ray Analysis of Crystal of Proteinase K Obtained From H2O Solution Using Peg 8000

All present enzymatic activity of X-Ray Analysis of Crystal of Proteinase K Obtained From H2O Solution Using Peg 8000:
3.4.21.64;

The structure of X-Ray Analysis of Crystal of Proteinase K Obtained From H2O Solution Using Peg 8000, PDB code: 3aj8 was solved by T.Chatake, T.Ishikawa, Y.Morimoto, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.98 / 1.10
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	67.860, 67.860, 101.958, 90.00, 90.00, 90.00
R / Rfree (%)	11.8 / 13.2

The binding sites of Calcium atom in the X-Ray Analysis of Crystal of Proteinase K Obtained From H2O Solution Using Peg 8000 (pdb code 3aj8). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the X-Ray Analysis of Crystal of Proteinase K Obtained From H2O Solution Using Peg 8000, PDB code: 3aj8:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the X-Ray Analysis of Crystal of Proteinase K Obtained From H2O Solution Using Peg 8000


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of X-Ray Analysis of Crystal of Proteinase K Obtained From H2O Solution Using Peg 8000 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca384 b:5.1 occ:1.00 O A:HOH425 2.4 8.8 1.0 O A:PRO175 2.4 5.8 1.0 O A:VAL177 2.4 5.8 1.0 O A:HOH412 2.4 7.4 1.0 O A:HOH402 2.4 6.1 1.0 OD2 A:ASP200 2.5 5.2 1.0 O A:HOH428 2.5 8.8 1.0 OD1 A:ASP200 2.6 6.5 1.0 CG A:ASP200 2.9 5.0 1.0 C A:PRO175 3.5 5.5 1.0 C A:VAL177 3.6 4.6 1.0 O A:HOH359 4.0 29.9 1.0 N A:VAL177 4.2 5.2 1.0 CA A:PRO175 4.2 6.6 1.0 O A:VAL198 4.3 6.9 1.0 CB A:ASP200 4.4 5.3 1.0 C A:SER176 4.4 5.5 1.0 N A:SER176 4.5 5.5 1.0 CA A:CYS178 4.5 4.8 1.0 O A:HOH580 4.5 19.2 1.0 N A:CYS178 4.5 4.6 1.0 O A:GLU174 4.5 5.5 1.0 CA A:VAL177 4.6 5.0 1.0 N A:THR179 4.6 4.3 1.0 O A:HOH660 4.7 24.5 1.0 CA A:SER176 4.7 5.7 1.0 O A:HOH427 4.7 8.8 1.0 O A:HOH364 4.8 13.3 0.3 OG1 A:THR179 4.8 5.1 1.0 SG A:CYS249 4.9 5.8 1.0

Calcium binding site 2 out of 2 in the X-Ray Analysis of Crystal of Proteinase K Obtained From H2O Solution Using Peg 8000


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of X-Ray Analysis of Crystal of Proteinase K Obtained From H2O Solution Using Peg 8000 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca385 b:9.9 occ:1.00 O A:THR16 2.4 10.7 1.0 O A:HOH461 2.4 11.6 1.0 O A:HOH508 2.5 14.7 1.0 O A:HOH481 2.5 12.9 1.0 OD1 A:ASP260 2.5 6.0 0.6 OD2 A:ASP260 2.5 5.3 0.6 O A:HOH554 2.5 17.7 1.0 OD2 A:ASP260 2.7 10.8 0.4 CG A:ASP260 2.8 5.3 0.6 CG A:ASP260 3.0 10.5 0.4 OD1 A:ASP260 3.2 11.6 0.4 C A:THR16 3.6 7.5 1.0 CB A:ASP260 3.9 9.6 0.4 O A:HOH614 4.0 21.2 1.0 O A:HOH586 4.2 19.8 1.0 CB A:ASP260 4.3 6.7 0.6 O A:HOH619 4.4 21.4 1.0 OD1 A:ASN257 4.4 7.0 1.0 O A:HOH365 4.4 16.8 0.3 CA A:THR16 4.4 6.8 1.0 N A:SER17 4.5 6.5 1.0 NH2 A:ARG12 4.5 5.6 1.0 CA A:SER17 4.5 6.8 1.0 CB A:THR16 4.6 8.7 1.0 CG A:ASN257 4.7 6.1 1.0 OG A:SER17 4.8 12.3 1.0 O A:HOH365 4.9 16.5 0.7 CB A:ASN257 4.9 5.8 1.0 O A:HOH448 5.0 10.8 1.0

T.Chatake, T.Ishikawa, Y.Yanagisawa, T.Yamada, I.Tanaka, S.Fujiwara, Y.Morimoro. High-Resolution X-Ray Study of the Effects of Deuteration on Crystal Growth and the Crystal Structure of Proteinase K Acta Crystallogr.,Sect.F V. 67 1334 2011.
ISSN: ESSN 1744-3091
PubMed: 22102227
DOI: 10.1107/S1744309111031903