Calcium in PDB 7lti: X-Ray Radiation Damage Series on Proteinase K at 100K, Crystal Structure, Dataset 2

All present enzymatic activity of X-Ray Radiation Damage Series on Proteinase K at 100K, Crystal Structure, Dataset 2:
3.4.21.64;

The structure of X-Ray Radiation Damage Series on Proteinase K at 100K, Crystal Structure, Dataset 2, PDB code: 7lti was solved by F.Yabukarski, T.Doukov, D.Herschlag, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.86 / 0.91
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	67.721, 67.721, 101.423, 90, 90, 90
R / Rfree (%)	15.3 / 17

The binding sites of Calcium atom in the X-Ray Radiation Damage Series on Proteinase K at 100K, Crystal Structure, Dataset 2 (pdb code 7lti). 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 X-Ray Radiation Damage Series on Proteinase K at 100K, Crystal Structure, Dataset 2, PDB code: 7lti:

Calcium binding site 1 out of 1 in the X-Ray Radiation Damage Series on Proteinase K at 100K, Crystal Structure, Dataset 2


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of X-Ray Radiation Damage Series on Proteinase K at 100K, Crystal Structure, Dataset 2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:9.1 occ:1.00 O A:VAL177 2.4 8.7 1.0 O A:PRO175 2.4 9.8 1.0 O A:HOH576 2.4 12.9 1.0 OD2 A:ASP200 2.4 9.3 1.0 O A:HOH512 2.4 9.0 1.0 O A:HOH458 2.4 10.9 1.0 O A:HOH684 2.5 11.4 1.0 OD1 A:ASP200 2.7 9.9 1.0 CG A:ASP200 2.9 8.9 1.0 C A:PRO175 3.5 9.6 1.0 O A:HOH411 3.6 11.7 1.0 C A:VAL177 3.6 7.9 1.0 HA A:CYS178 3.7 10.1 0.4 HA A:CYS178 3.7 8.0 0.6 HA A:PRO175 3.9 12.8 1.0 H A:THR179 3.9 8.9 0.6 H A:THR179 3.9 8.9 0.4 H A:VAL177 4.1 9.8 1.0 N A:VAL177 4.2 8.2 1.0 O A:VAL198 4.3 10.7 1.0 CA A:PRO175 4.3 10.6 1.0 HA A:SER176 4.3 10.7 1.0 C A:SER176 4.4 8.6 1.0 CB A:ASP200 4.4 8.6 1.0 N A:SER176 4.5 9.1 1.0 O A:HOH767 4.5 17.1 1.0 CA A:CYS178 4.5 8.4 0.4 N A:CYS178 4.5 7.0 0.6 N A:CYS178 4.5 8.0 0.4 CA A:CYS178 4.5 6.7 0.6 O A:GLU174 4.5 9.2 1.0 O A:HOH679 4.5 14.8 0.6 CA A:VAL177 4.6 7.8 1.0 N A:THR179 4.6 7.4 1.0 SG A:CYS249 4.6 12.0 0.3 CA A:SER176 4.6 8.9 1.0 HG22 A:VAL198 4.7 16.0 1.0 O A:HOH733 4.7 26.1 1.0 O A:HOH579 4.7 12.4 1.0 HB2 A:ASP200 4.8 10.3 1.0 OG1 A:THR179 4.8 8.5 1.0 HB3 A:ASP200 4.8 10.3 1.0 HB A:THR179 4.9 9.2 1.0 O A:SER176 4.9 9.5 1.0 HG1 A:THR179 4.9 10.2 1.0 HG23 A:VAL198 5.0 16.0 1.0 SG A:CYS249 5.0 7.4 0.7

F.Yabukarski, T.Doukov, D.A.Mokhtari, S.Du, D.Herschlag. Evaluating the Impact of X-Ray Damage on Conformational Heterogeneity in Room-Temperature (277 K) and Cryo-Cooled Protein Crystals. Acta Crystallogr D Struct V. 78 945 2022BIOL.
ISSN: ISSN 2059-7983
PubMed: 35916220
DOI: 10.1107/S2059798322005939