Sodium in PDB 7zvf: Crystal Structure of Human Cathepsin L in Complex with Covalently Bound CLIK148

The structure of Crystal Structure of Human Cathepsin L in Complex with Covalently Bound CLIK148, PDB code: 7zvf was solved by S.Falke, J.Lieske, S.Guenther, P.Y.A.Reinke, W.Ewert, J.Loboda, K.Karnicar, A.Usenik, N.Lindic, A.Sekirnik, H.Tsuge, H.N.Chapman, W.Hinrichs, D.Turk, A.Meents, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.33 / 1.60
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	57.22, 62.29, 68.03, 105.53, 93.56, 115.73
R / Rfree (%)	16.5 / 18.9

The binding sites of Sodium atom in the Crystal Structure of Human Cathepsin L in Complex with Covalently Bound CLIK148 (pdb code 7zvf). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Crystal Structure of Human Cathepsin L in Complex with Covalently Bound CLIK148, PDB code: 7zvf:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Crystal Structure of Human Cathepsin L in Complex with Covalently Bound CLIK148


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of Human Cathepsin L in Complex with Covalently Bound CLIK148 within 5.0Å range: probe atom residue distance (Å) B Occ B:Na305 b:37.3 occ:1.00 OD2 A:ASP178 2.4 17.3 1.0 OE1 B:GLN75 2.4 19.0 1.0 OE1 B:GLN78 2.6 16.6 1.0 HB2 A:ASP178 2.7 15.3 1.0 HE22 B:GLN75 2.7 27.6 1.0 HA2 B:GLY111 2.7 13.9 1.0 CD B:GLN75 3.1 21.5 1.0 CG A:ASP178 3.2 14.2 1.0 NE2 B:GLN75 3.2 23.0 1.0 CB A:ASP178 3.2 12.7 1.0 HA3 B:GLY111 3.3 13.9 1.0 HB3 A:ASP178 3.3 15.3 1.0 CA B:GLY111 3.4 11.6 1.0 HE2 B:PHE112 3.7 15.0 1.0 CD B:GLN78 3.8 14.8 1.0 HA B:GLN75 3.9 10.7 1.0 HD2 B:PHE112 4.0 12.6 1.0 HE21 B:GLN75 4.0 27.6 1.0 CE2 B:PHE112 4.1 12.5 1.0 HE22 B:GLN78 4.1 23.2 1.0 H B:PHE112 4.2 14.5 1.0 CD2 B:PHE112 4.2 10.5 1.0 N B:GLY111 4.3 13.7 1.0 OD1 A:ASP178 4.4 17.3 1.0 NE2 B:GLN78 4.4 19.3 1.0 O A:SER177 4.5 15.8 1.0 C B:GLY111 4.5 9.8 1.0 HB2 B:GLN75 4.5 14.1 1.0 CG B:GLN75 4.5 12.3 1.0 HB3 B:GLN78 4.5 14.8 1.0 N B:PHE112 4.6 12.1 1.0 H B:GLY111 4.6 16.4 1.0 CA A:ASP178 4.7 13.3 1.0 CA B:GLN75 4.8 8.9 1.0 CB B:GLN75 4.8 11.8 1.0 CG B:GLN78 5.0 15.9 1.0 C A:SER177 5.0 12.7 1.0 HG3 B:GLN75 5.0 14.8 1.0 HB2 B:GLN78 5.0 14.8 1.0

Sodium binding site 2 out of 2 in the Crystal Structure of Human Cathepsin L in Complex with Covalently Bound CLIK148


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Crystal Structure of Human Cathepsin L in Complex with Covalently Bound CLIK148 within 5.0Å range: probe atom residue distance (Å) B Occ C:Na305 b:39.5 occ:1.00 OE1 C:GLU173 2.4 27.0 1.0 HD21 C:ASN180 2.6 47.1 1.0 HB2 C:GLU173 2.9 51.2 1.0 HG3 C:GLU173 2.9 43.9 1.0 HB3 C:ASN180 3.2 34.1 1.0 CD C:GLU173 3.3 36.5 1.0 ND2 C:ASN180 3.3 39.2 1.0 HB2 C:ASN180 3.3 34.1 1.0 CG C:GLU173 3.4 36.6 1.0 CB C:ASN180 3.6 28.4 1.0 CB C:GLU173 3.6 42.7 1.0 HG13 C:ILE150 3.8 35.6 1.0 HD22 C:ASN180 3.8 47.1 1.0 CG C:ASN180 3.9 33.9 1.0 HB3 C:GLU173 4.2 51.2 1.0 HG2 C:GLU173 4.3 43.9 1.0 HA C:GLU173 4.4 38.4 1.0 HG12 C:ILE150 4.4 35.6 1.0 OE2 C:GLU173 4.5 34.0 1.0 CG1 C:ILE150 4.5 29.6 1.0 CA C:GLU173 4.7 32.0 1.0 O C:ASN180 4.8 23.8 1.0 HD11 C:ILE150 4.8 37.1 1.0 OD1 C:ASN180 5.0 25.1 1.0

S.Falke, J.Lieske, A.Herrmann, S.Guenther, P.Y.A.Reinke, W.Ewert, J.Loboda, K.Karnicar, A.Usenik, N.Lindic, A.Sekirnik, H.Tsuge, H.N.Chapman, W.Hinrichs, G.Ebert, D.Turk, A.Meents. Structural Elucidation of Antiviral Cathepsin L Inhibitors To Be Published.