Zinc in PDB 6yjm: Crystal Structure of the Catalytic Domain of Adamts-5 in Complex with the Inhibitor GLPG1972

The structure of Crystal Structure of the Catalytic Domain of Adamts-5 in Complex with the Inhibitor GLPG1972, PDB code: 6yjm was solved by A.Goepfert, P.Leonard, N.Triballeau, D.Fleury, P.Mollat, M.Lamers, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	18.47 / 2.25
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	44.32, 80.24, 51.05, 90, 90.2, 90
R / Rfree (%)	21.3 / 25.6

The structure of Crystal Structure of the Catalytic Domain of Adamts-5 in Complex with the Inhibitor GLPG1972 also contains other interesting chemical elements:

Fluorine	(F)	4 atoms
Calcium	(Ca)	6 atoms

The binding sites of Zinc atom in the Crystal Structure of the Catalytic Domain of Adamts-5 in Complex with the Inhibitor GLPG1972 (pdb code 6yjm). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of the Catalytic Domain of Adamts-5 in Complex with the Inhibitor GLPG1972, PDB code: 6yjm:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of the Catalytic Domain of Adamts-5 in Complex with the Inhibitor GLPG1972


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of the Catalytic Domain of Adamts-5 in Complex with the Inhibitor GLPG1972 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn501 b:10.7 occ:1.00 N5 A:OU5505 2.1 9.9 1.0 NE2 A:HIS410 2.1 12.0 1.0 NE2 A:HIS420 2.1 16.6 1.0 NE2 A:HIS414 2.2 12.7 1.0 C6 A:OU5505 2.9 13.4 1.0 O9 A:OU5505 2.9 13.8 1.0 CD2 A:HIS420 3.0 13.7 1.0 CD2 A:HIS410 3.0 11.9 1.0 CD2 A:HIS414 3.1 11.6 1.0 CE1 A:HIS420 3.1 14.7 1.0 CE1 A:HIS410 3.1 12.8 1.0 CE1 A:HIS414 3.2 12.8 1.0 C4 A:OU5505 3.2 11.3 1.0 O8 A:OU5505 3.7 20.9 1.0 C20 A:OU5505 3.9 11.7 1.0 O A:HOH648 4.0 19.0 1.0 N7 A:OU5505 4.1 12.9 1.0 CG A:HIS420 4.2 13.4 1.0 ND1 A:HIS420 4.2 16.1 1.0 CG A:HIS410 4.2 11.7 1.0 ND1 A:HIS410 4.2 9.6 1.0 O A:HOH619 4.2 14.1 1.0 CG A:HIS414 4.3 13.7 1.0 ND1 A:HIS414 4.3 13.1 1.0 C3 A:OU5505 4.4 15.1 1.0 N15 A:OU5505 4.5 11.2 1.0 CE A:MET439 4.8 15.5 1.0 C1 A:OU5505 4.9 11.6 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of the Catalytic Domain of Adamts-5 in Complex with the Inhibitor GLPG1972


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of the Catalytic Domain of Adamts-5 in Complex with the Inhibitor GLPG1972 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn501 b:13.2 occ:1.00 NE2 B:HIS420 2.1 13.3 1.0 NE2 B:HIS410 2.1 14.1 1.0 NE2 B:HIS414 2.1 12.6 1.0 N5 B:OU5505 2.3 12.2 1.0 CD2 B:HIS420 2.9 13.7 1.0 CD2 B:HIS410 3.0 15.3 1.0 CE1 B:HIS414 3.1 15.6 1.0 C6 B:OU5505 3.1 9.3 1.0 CD2 B:HIS414 3.2 13.9 1.0 CE1 B:HIS410 3.2 13.2 1.0 O9 B:OU5505 3.2 9.6 1.0 CE1 B:HIS420 3.2 16.6 1.0 C4 B:OU5505 3.4 12.7 1.0 O8 B:OU5505 3.8 11.3 1.0 C20 B:OU5505 4.0 10.4 1.0 O B:HOH641 4.1 19.7 1.0 CG B:HIS420 4.1 12.6 1.0 ND1 B:HIS414 4.2 12.2 1.0 ND1 B:HIS420 4.2 8.8 1.0 CG B:HIS410 4.2 10.8 1.0 ND1 B:HIS410 4.2 16.8 1.0 CG B:HIS414 4.3 12.0 1.0 N7 B:OU5505 4.4 11.9 1.0 O B:HOH623 4.5 12.3 1.0 N15 B:OU5505 4.6 9.3 1.0 C3 B:OU5505 4.6 11.0 1.0 CE B:MET439 4.7 10.7 1.0

P.Leonard, N.Triballeau, P.Mollat. Crystal Structure of the Catalytic Domain of Adamts-5 in Complex with the Inhibitor GLPG1972 To Be Published.