Calcium in PDB 7lu3: X-Ray Radiation Damage Series on Proteinase K at 100K, Crystal Structure, Dataset 7

All present enzymatic activity of X-Ray Radiation Damage Series on Proteinase K at 100K, Crystal Structure, Dataset 7:
3.4.21.64;

The structure of X-Ray Radiation Damage Series on Proteinase K at 100K, Crystal Structure, Dataset 7, PDB code: 7lu3 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)	33.87 / 1.16
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	67.732, 67.732, 101.66, 90, 90, 90
R / Rfree (%)	14.1 / 17.2

The binding sites of Calcium atom in the X-Ray Radiation Damage Series on Proteinase K at 100K, Crystal Structure, Dataset 7 (pdb code 7lu3). 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 7, PDB code: 7lu3:

Calcium binding site 1 out of 1 in the X-Ray Radiation Damage Series on Proteinase K at 100K, Crystal Structure, Dataset 7


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 7 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:18.2 occ:1.00 O A:VAL177 2.4 16.8 1.0 O A:HOH489 2.4 28.0 1.0 O A:PRO175 2.4 19.7 1.0 OD2 A:ASP200 2.4 19.1 1.0 O A:HOH432 2.4 23.7 1.0 O A:HOH501 2.4 19.6 1.0 O A:HOH599 2.5 24.1 1.0 OD1 A:ASP200 2.8 22.2 1.0 CG A:ASP200 3.0 19.4 1.0 C A:PRO175 3.5 19.3 1.0 C A:VAL177 3.6 15.4 1.0 O A:HOH411 3.7 25.4 0.4 HA A:CYS178 3.7 19.0 0.4 HA A:CYS178 3.7 16.6 0.6 HG A:CYS249 3.7 31.9 0.4 HA A:PRO175 3.9 25.8 1.0 H A:THR179 3.9 17.2 0.6 H A:THR179 3.9 17.2 0.4 H A:VAL177 4.2 20.7 1.0 N A:VAL177 4.2 17.2 1.0 O A:VAL198 4.2 20.9 0.3 CA A:PRO175 4.3 21.5 1.0 O A:VAL198 4.3 19.6 0.7 HA A:SER176 4.3 24.3 1.0 C A:SER176 4.4 19.4 1.0 CA A:CYS178 4.5 15.8 0.4 CB A:ASP200 4.5 17.9 1.0 N A:CYS178 4.5 14.9 0.6 N A:CYS178 4.5 15.8 0.4 CA A:CYS178 4.5 13.8 0.6 N A:SER176 4.5 19.6 1.0 O A:GLU174 4.5 19.5 1.0 O A:HOH643 4.5 37.8 1.0 O A:HOH629 4.5 48.0 1.0 CA A:VAL177 4.6 17.1 1.0 O A:HOH609 4.6 39.8 0.6 N A:THR179 4.6 14.4 1.0 CA A:SER176 4.6 20.3 1.0 HG22 A:VAL198 4.7 26.2 0.7 O A:HOH503 4.7 27.8 1.0 HB2 A:ASP200 4.8 21.5 1.0 SG A:CYS249 4.8 26.6 0.4 OG1 A:THR179 4.8 15.6 1.0 HB3 A:ASP200 4.8 21.5 1.0 HB A:THR179 4.9 17.6 1.0 O A:SER176 4.9 20.9 1.0 HG22 A:VAL177 4.9 22.8 1.0 HG1 A:THR179 4.9 18.7 1.0 HG23 A:VAL177 5.0 22.8 1.0

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