Calcium in PDB 5whw: Using Sound Pulses to Solve the Crystal Harvesting Bottleneck

All present enzymatic activity of Using Sound Pulses to Solve the Crystal Harvesting Bottleneck:
3.4.21.64;

The structure of Using Sound Pulses to Solve the Crystal Harvesting Bottleneck, PDB code: 5whw was solved by A.S.Soares, H.M.Brennan, R.Natarajan, L.Mccarthy, L.Leroy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	57.27 / 1.71
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	67.719, 67.719, 107.323, 90.00, 90.00, 90.00
R / Rfree (%)	15.2 / 17.3

The binding sites of Calcium atom in the Using Sound Pulses to Solve the Crystal Harvesting Bottleneck (pdb code 5whw). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Using Sound Pulses to Solve the Crystal Harvesting Bottleneck, PDB code: 5whw:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Using Sound Pulses to Solve the Crystal Harvesting Bottleneck


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Using Sound Pulses to Solve the Crystal Harvesting Bottleneck within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:11.2 occ:1.00 O A:PRO175 2.4 12.2 1.0 O A:VAL177 2.4 11.2 1.0 OD2 A:ASP200 2.4 10.2 1.0 O A:HOH438 2.5 14.0 1.0 O A:HOH502 2.5 11.7 1.0 O A:HOH625 2.5 16.9 1.0 O A:HOH642 2.6 16.1 1.0 OD1 A:ASP200 2.7 12.5 1.0 CG A:ASP200 2.9 11.7 1.0 C A:PRO175 3.5 10.3 1.0 C A:VAL177 3.7 10.6 1.0 O A:HOH422 3.9 18.9 0.5 N A:VAL177 4.1 10.8 1.0 CA A:PRO175 4.2 11.9 1.0 O A:VAL198 4.2 12.7 1.0 CB A:ASP200 4.4 11.0 1.0 N A:SER176 4.5 9.6 1.0 CA A:CYS178 4.5 9.3 1.0 C A:SER176 4.5 10.7 1.0 O A:GLU174 4.5 11.2 1.0 N A:CYS178 4.6 9.7 1.0 O A:HOH739 4.6 36.8 1.0 N A:THR179 4.6 10.4 1.0 CA A:VAL177 4.6 10.5 1.0 O A:HOH568 4.7 15.3 1.0 CA A:SER176 4.7 10.1 1.0 OG1 A:THR179 4.8 10.4 1.0 O A:HOH806 4.8 48.3 1.0 SG A:CYS249 4.9 12.2 1.0

Calcium binding site 2 out of 2 in the Using Sound Pulses to Solve the Crystal Harvesting Bottleneck


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Using Sound Pulses to Solve the Crystal Harvesting Bottleneck within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:22.3 occ:0.90 O A:THR16 2.4 19.1 1.0 O A:HOH561 2.4 23.2 1.0 O A:HOH616 2.4 26.1 1.0 O A:HOH695 2.5 24.3 1.0 OD2 A:ASP260 2.5 21.3 1.0 OD1 A:ASP260 2.5 26.8 1.0 O A:HOH651 2.6 32.4 1.0 CG A:ASP260 2.8 24.6 1.0 C A:THR16 3.6 15.9 1.0 O A:HOH445 4.2 35.8 1.0 CB A:ASP260 4.3 23.5 1.0 O A:HOH742 4.4 43.0 1.0 CA A:THR16 4.4 14.5 1.0 ND2 A:ASN257 4.4 16.1 1.0 CB A:THR16 4.5 17.6 1.0 N A:SER17 4.5 15.0 1.0 O A:HOH825 4.6 43.8 1.0 CA A:SER17 4.6 16.1 1.0 NH2 A:ARG12 4.7 16.3 1.0 CG A:ASN257 4.8 16.5 1.0 CB A:ASN257 4.9 16.4 1.0

Y.N.Samara, H.M.Brennan, L.Mccarthy, M.T.Bollard, D.Laspina, J.M.Wlodek, S.L.Campos, R.Natarajan, K.Gofron, S.Mcsweeney, A.S.Soares, L.Leroy. Using Sound Pulses to Solve the Crystal-Harvesting Bottleneck. Acta Crystallogr D Struct V. 74 986 2018BIOL.
ISSN: ISSN 2059-7983
PubMed: 30289409
DOI: 10.1107/S2059798318011506