Calcium in PDB 2rjq: Crystal Structure of ADAMTS5 with Inhibitor Bound

The structure of Crystal Structure of ADAMTS5 with Inhibitor Bound, PDB code: 2rjq was solved by L.Mosyak, M.Stahl, W.Somers, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.60
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	95.471, 95.471, 93.487, 90.00, 90.00, 120.00
R / Rfree (%)	23 / 26

The structure of Crystal Structure of ADAMTS5 with Inhibitor Bound also contains other interesting chemical elements:

Chlorine	(Cl)	2 atoms
Zinc	(Zn)	2 atoms

The binding sites of Calcium atom in the Crystal Structure of ADAMTS5 with Inhibitor Bound (pdb code 2rjq). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of ADAMTS5 with Inhibitor Bound, PDB code: 2rjq:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of ADAMTS5 with Inhibitor Bound


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of ADAMTS5 with Inhibitor Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca5 b:74.8 occ:1.00 OE2 A:GLU270 2.3 58.0 1.0 O A:CYS471 2.3 62.2 1.0 O A:HOH578 2.3 64.0 1.0 OD1 A:ASP360 2.3 61.5 1.0 OD1 A:ASP474 2.7 64.4 1.0 OD2 A:ASP474 3.2 64.3 1.0 CG A:ASP360 3.2 61.4 1.0 CG A:ASP474 3.3 64.1 1.0 OD2 A:ASP360 3.3 62.2 1.0 CD A:GLU270 3.4 57.7 1.0 C A:CYS471 3.5 62.3 1.0 O A:HOH611 3.6 54.1 1.0 CG A:GLU270 4.0 57.6 1.0 CA A:CYS471 4.4 62.3 1.0 OE1 A:GLU270 4.4 58.2 1.0 N A:LEU472 4.5 62.4 1.0 CB A:CYS471 4.6 62.4 1.0 CA A:LEU472 4.6 62.4 1.0 CB A:ASP360 4.6 61.3 1.0 CB A:ASP474 4.8 63.7 1.0 O A:ASP474 4.8 63.7 1.0 CD2 A:HIS358 4.8 66.2 1.0 NE2 A:HIS358 4.9 66.5 1.0 O A:HOH621 5.0 74.5 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of ADAMTS5 with Inhibitor Bound


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of ADAMTS5 with Inhibitor Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca6 b:54.1 occ:1.00 OD1 A:ASP369 2.3 58.3 1.0 OE1 A:GLU398 2.4 63.1 1.0 O A:CYS376 2.4 58.9 1.0 O A:THR378 2.4 60.5 1.0 O A:LEU370 2.4 57.4 1.0 CD A:GLU398 3.3 62.7 1.0 OE2 A:GLU398 3.5 63.1 1.0 C A:CYS376 3.5 58.9 1.0 C A:THR378 3.6 60.5 1.0 C A:LEU370 3.6 57.5 1.0 CG A:ASP369 3.6 58.4 1.0 N A:LEU370 3.7 58.0 1.0 N A:THR378 4.0 60.3 1.0 C A:ASP377 4.2 60.1 1.0 C A:ASP369 4.2 58.4 1.0 CA A:LEU370 4.2 57.7 1.0 OG1 A:THR378 4.2 60.8 1.0 O A:HOH608 4.2 56.2 1.0 CA A:THR378 4.3 60.5 1.0 CA A:CYS376 4.3 58.7 1.0 OD2 A:ASP369 4.3 57.9 1.0 CA A:ASP369 4.4 58.6 1.0 O A:ASP377 4.4 60.2 1.0 CB A:CYS376 4.5 58.6 1.0 N A:ASP377 4.5 59.4 1.0 CB A:ASP369 4.6 58.6 1.0 N A:LEU379 4.6 60.7 1.0 CG A:GLU398 4.6 62.3 1.0 N A:CYS371 4.7 57.4 1.0 CA A:ASP377 4.8 60.0 1.0 CB A:LEU370 4.8 57.6 1.0 CA A:LEU379 4.9 60.8 1.0 CB A:THR378 4.9 60.6 1.0 O A:ASP369 4.9 58.5 1.0 CB A:GLU398 5.0 62.1 1.0 CA A:CYS371 5.0 57.4 1.0

L.Mosyak, K.Georgiadis, T.Shane, K.Svenson, T.Hebert, T.Mcdonagh, S.Mackie, S.Olland, L.Lin, X.Zhong, R.Kriz, E.L.Reifenberg, L.A.Collins-Racie, C.Corcoran, B.Freeman, R.Zollner, T.Marvell, M.Vera, P.E.Sum, E.R.Lavallie, M.Stahl, W.Somers. Crystal Structures of the Two Major Aggrecan Degrading Enzymes, ADAMTS4 and ADAMTS5. Protein Sci. V. 17 16 2008.
ISSN: ISSN 0961-8368
PubMed: 18042673
DOI: 10.1110/PS.073287008