Calcium in PDB 7ulk: Human TRAP1 Nm in Complex with 42C

The structure of Human TRAP1 Nm in Complex with 42C, PDB code: 7ulk was solved by T.R.Stachowski, S.Nithianantham, M.Vanarotti, M.Fischer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.21 / 2.34
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	69.624, 89.399, 95.599, 90, 111.56, 90
R / Rfree (%)	22.3 / 26.8

The binding sites of Calcium atom in the Human TRAP1 Nm in Complex with 42C (pdb code 7ulk). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Human TRAP1 Nm in Complex with 42C, PDB code: 7ulk:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Human TRAP1 Nm in Complex with 42C


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Human TRAP1 Nm in Complex with 42C within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca602 b:102.1 occ:1.00 O A:GLN296 3.6 41.8 1.0 N A:GLN296 4.1 41.3 1.0 CG2 A:ILE298 4.3 48.7 1.0 CB A:PHE314 4.5 37.3 1.0 C A:GLN296 4.6 47.8 1.0 CD1 A:PHE314 4.6 43.7 1.0 CB A:GLN296 4.6 40.3 1.0 CA A:GLN296 4.7 38.8 1.0 OE2 A:GLU313 4.7 105.1 1.0 CA A:PHE314 4.8 54.3 1.0 CG A:GLU313 4.8 81.4 1.0 CD A:GLU313 4.8 99.1 1.0 N A:PHE314 4.9 52.5 1.0 CD2 A:LEU295 5.0 41.1 1.0

Calcium binding site 2 out of 2 in the Human TRAP1 Nm in Complex with 42C


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Human TRAP1 Nm in Complex with 42C within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca602 b:68.8 occ:1.00 O B:HOH725 2.3 64.0 1.0 O B:HOH705 2.3 50.0 1.0 O B:HOH717 2.3 53.6 1.0 O B:HOH737 2.4 57.8 1.0 O A:HOH720 2.5 77.7 1.0 O B:ALA455 2.5 77.4 1.0 C B:ALA455 3.7 67.3 1.0 CA B:THR456 4.1 71.2 1.0 NZ B:LYS461 4.2 73.9 1.0 N B:THR456 4.3 68.3 1.0 O A:ARG357 4.3 63.2 1.0 CD2 B:HIS538 4.4 55.2 1.0 CD B:LYS461 4.4 58.3 1.0 CE B:LYS461 4.6 62.3 1.0 C B:THR456 4.6 75.8 1.0 O B:THR456 4.6 85.3 1.0 O A:HOH730 4.7 53.3 1.0 CA B:ALA455 4.8 56.1 1.0 O B:VAL453 4.8 55.9 0.6 O A:SER356 4.8 75.7 1.0 O B:ILE452 4.9 56.3 1.0 N B:ALA455 4.9 55.1 1.0 CB A:GLU358 4.9 77.7 1.0

T.R.Stachowski, S.Nithianantham, M.Vanarotti, K.Lopez, M.Fischer. Pan-HSP90 Ligand Binding Reveals Isoform-Specific Differences in Plasticity and Water Networks. Protein Sci. E4629 2023.
ISSN: ESSN 1469-896X
PubMed: 36938943
DOI: 10.1002/PRO.4629