Calcium in PDB 3aj9: X-Ray Analysis of Crystal of Proteinase K Obtained From D2O Solution Using Peg 8000

All present enzymatic activity of X-Ray Analysis of Crystal of Proteinase K Obtained From D2O Solution Using Peg 8000:
3.4.21.64;

The structure of X-Ray Analysis of Crystal of Proteinase K Obtained From D2O Solution Using Peg 8000, PDB code: 3aj9 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)	23.98 / 1.10
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	68.100, 68.100, 102.464, 90.00, 90.00, 90.00
R / Rfree (%)	14.7 / 16.2

The binding sites of Calcium atom in the X-Ray Analysis of Crystal of Proteinase K Obtained From D2O Solution Using Peg 8000 (pdb code 3aj9). 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 D2O Solution Using Peg 8000, PDB code: 3aj9:
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 D2O 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 D2O Solution Using Peg 8000 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca407 b:4.9 occ:1.00 O A:PRO175 2.4 5.5 1.0 O A:HOH429 2.4 6.7 1.0 O A:HOH419 2.4 5.9 1.0 O A:HOH443 2.4 8.7 1.0 O A:VAL177 2.4 5.5 1.0 OD2 A:ASP200 2.5 5.1 1.0 O A:HOH446 2.5 7.9 1.0 OD1 A:ASP200 2.7 6.1 1.0 CG A:ASP200 2.9 5.2 1.0 C A:PRO175 3.5 5.6 1.0 C A:VAL177 3.6 4.4 1.0 O A:HOH359 4.0 27.6 1.0 N A:VAL177 4.2 5.0 1.0 CA A:PRO175 4.3 6.7 1.0 O A:VAL198 4.3 6.9 1.0 CB A:ASP200 4.4 5.2 1.0 C A:SER176 4.4 5.5 1.0 N A:SER176 4.5 5.4 1.0 CA A:CYS178 4.5 4.3 1.0 O A:GLU174 4.5 5.5 1.0 O A:HOH599 4.5 14.3 1.0 N A:CYS178 4.5 4.2 1.0 CA A:VAL177 4.6 5.0 1.0 O A:HOH394 4.6 28.8 0.3 N A:THR179 4.6 4.3 1.0 CA A:SER176 4.7 5.2 1.0 O A:HOH679 4.7 26.7 1.0 O A:HOH445 4.7 8.5 1.0 O A:HOH364 4.8 10.1 0.3 OG1 A:THR179 4.8 4.9 1.0 SG A:CYS249 4.9 6.0 1.0 O A:SER176 5.0 5.8 1.0

Calcium binding site 2 out of 2 in the X-Ray Analysis of Crystal of Proteinase K Obtained From D2O 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 D2O Solution Using Peg 8000 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca408 b:10.1 occ:1.00 O A:THR16 2.3 9.8 1.0 O A:HOH479 2.5 11.3 1.0 O A:HOH526 2.5 14.0 1.0 OD1 A:ASP260 2.5 8.6 0.8 OD2 A:ASP260 2.5 7.1 0.8 O A:HOH499 2.6 13.4 1.0 O A:HOH572 2.6 20.9 1.0 OD2 A:ASP260 2.8 11.9 0.2 CG A:ASP260 2.8 7.6 0.8 OD1 A:ASP260 2.9 11.6 0.2 CG A:ASP260 3.0 11.2 0.2 C A:THR16 3.5 7.5 1.0 CB A:ASP260 4.2 9.7 0.2 O A:HOH634 4.2 22.0 1.0 O A:HOH365 4.3 17.3 0.5 O A:HOH605 4.3 23.3 1.0 CB A:ASP260 4.3 8.2 0.8 OD1 A:ASN257 4.4 7.3 1.0 CA A:THR16 4.4 7.2 1.0 O A:HOH639 4.4 17.5 1.0 N A:SER17 4.5 6.5 1.0 CB A:THR16 4.5 9.5 1.0 CA A:SER17 4.6 6.4 1.0 NH2 A:ARG12 4.6 5.5 1.0 CG A:ASN257 4.7 6.4 1.0 OG A:SER17 4.8 10.9 1.0 O A:HOH365 4.9 17.3 0.5 CB A:ASN257 4.9 6.1 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