Sodium in PDB 9evi: Crystal Structure of Candida Antarctica Lipase B with the Putative Pro-Peptide Region

All present enzymatic activity of Crystal Structure of Candida Antarctica Lipase B with the Putative Pro-Peptide Region:
3.1.1.3;

The structure of Crystal Structure of Candida Antarctica Lipase B with the Putative Pro-Peptide Region, PDB code: 9evi was solved by A.A.Sohail, L.W.Ruddock, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.85 / 1.45
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	47.344, 80.985, 73.993, 90, 98.3, 90
R / Rfree (%)	13.6 / 16.8

The binding sites of Sodium atom in the Crystal Structure of Candida Antarctica Lipase B with the Putative Pro-Peptide Region (pdb code 9evi). 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 Candida Antarctica Lipase B with the Putative Pro-Peptide Region, PDB code: 9evi:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Crystal Structure of Candida Antarctica Lipase B with the Putative Pro-Peptide Region


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 Candida Antarctica Lipase B with the Putative Pro-Peptide Region within 5.0Å range: probe atom residue distance (Å) B Occ A:Na402 b:22.0 occ:1.00 O A:LEU172 2.4 32.0 1.0 HG A:SER175 2.5 34.4 1.0 O A:HOH772 2.5 41.2 1.0 O A:ASP170 2.7 32.3 1.0 O A:PRO168 2.9 32.4 1.0 OG A:SER175 2.9 28.6 1.0 O A:VAL174 3.0 23.2 1.0 C A:LEU172 3.6 29.6 1.0 HB3 A:LEU172 3.6 38.1 1.0 C A:PRO168 3.8 31.8 1.0 C A:ASP170 3.9 33.1 1.0 C A:VAL174 4.0 20.3 1.0 HA A:PRO168 4.1 38.4 1.0 N A:LEU172 4.1 33.2 1.0 HB3 A:ALA171 4.1 39.6 1.0 H A:LEU172 4.1 39.9 1.0 H A:ASP170 4.2 37.6 1.0 H A:VAL174 4.2 25.7 1.0 HA A:SER175 4.2 24.1 1.0 CB A:SER175 4.2 24.4 1.0 N A:ASP170 4.2 31.3 1.0 CA A:LEU172 4.2 31.5 1.0 HA A:LEU169 4.3 36.4 1.0 CB A:LEU172 4.4 31.8 1.0 N A:VAL174 4.5 21.4 1.0 C A:ALA171 4.5 32.5 1.0 CA A:PRO168 4.5 32.0 1.0 C A:LEU169 4.5 30.7 1.0 HA A:ALA173 4.6 29.3 1.0 CA A:SER175 4.6 20.1 1.0 N A:LEU169 4.6 29.6 1.0 HB3 A:ASP170 4.6 45.5 1.0 N A:SER175 4.6 18.7 1.0 O A:GLY167 4.6 33.2 1.0 O A:HOH846 4.6 41.1 1.0 CA A:ASP170 4.7 33.9 1.0 N A:ALA173 4.7 26.4 1.0 HB3 A:SER175 4.7 29.3 1.0 CA A:LEU169 4.7 30.4 1.0 HB2 A:SER175 4.8 29.3 1.0 O A:HOH676 4.8 45.0 1.0 N A:ALA171 4.9 32.5 1.0 CA A:VAL174 4.9 19.3 1.0 O A:ALA171 4.9 32.0 1.0 CB A:ALA171 4.9 33.0 1.0 HB2 A:LEU172 4.9 38.1 1.0 C A:ALA173 4.9 22.6 1.0 CA A:ALA173 4.9 24.4 1.0 CA A:ALA171 5.0 32.6 1.0

Sodium binding site 2 out of 2 in the Crystal Structure of Candida Antarctica Lipase B with the Putative Pro-Peptide Region


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 Candida Antarctica Lipase B with the Putative Pro-Peptide Region within 5.0Å range: probe atom residue distance (Å) B Occ B:Na404 b:23.8 occ:1.00 HZ3 B:LYS315 2.6 32.5 1.0 HB2 B:ALA176 2.7 19.9 1.0 HG21 B:ILE310 2.7 21.1 1.0 O B:ILE310 2.8 15.8 1.0 HA B:ILE310 2.8 18.9 1.0 O B:PRO314 2.8 14.5 1.0 O B:HOH671 2.9 25.6 1.0 HG3 B:LYS315 3.1 21.8 1.0 HG2 B:LYS315 3.3 21.8 1.0 HD13 B:LEU98 3.4 19.6 1.0 NZ B:LYS315 3.5 27.1 1.0 CA B:ILE310 3.5 15.8 1.0 C B:ILE310 3.5 14.9 1.0 CG2 B:ILE310 3.6 17.6 1.0 HG12 B:ILE310 3.7 23.2 1.0 CG B:LYS315 3.7 18.2 1.0 CB B:ALA176 3.7 16.6 1.0 H B:ALA176 3.7 18.4 1.0 HZ1 B:LYS315 3.7 32.5 1.0 HA3 B:GLY313 3.7 17.1 1.0 HE2 B:LYS315 3.8 29.4 1.0 C B:GLY313 3.8 14.8 1.0 O B:GLY313 3.8 16.1 1.0 C B:PRO314 3.8 13.8 1.0 H B:GLY313 3.9 18.7 1.0 CB B:ILE310 4.0 17.0 1.0 HD22 B:LEU98 4.0 21.4 1.0 HG23 B:ILE310 4.0 21.1 1.0 HZ2 B:LYS315 4.1 32.5 1.0 N B:ALA176 4.1 15.3 1.0 HA B:ALA176 4.1 18.7 1.0 CE B:LYS315 4.1 24.5 1.0 HB3 B:ALA176 4.1 19.9 1.0 CA B:GLY313 4.1 14.3 1.0 N B:PRO314 4.2 13.9 1.0 CA B:ALA176 4.2 15.6 1.0 HB1 B:ALA176 4.2 19.9 1.0 HG22 B:ILE310 4.3 21.1 1.0 CD1 B:LEU98 4.3 16.3 1.0 CG1 B:ILE310 4.3 19.3 1.0 HD2 B:PRO314 4.3 18.2 1.0 N B:GLY313 4.4 15.6 1.0 HA B:LYS315 4.4 17.7 1.0 HD11 B:LEU98 4.4 19.6 1.0 O B:HOH510 4.4 26.3 1.0 CD B:LYS315 4.5 21.4 1.0 O B:ALA309 4.6 15.1 1.0 HB3 B:LEU98 4.6 16.8 1.0 CA B:PRO314 4.6 14.1 1.0 HA B:SER175 4.7 20.3 1.0 N B:LYS315 4.7 14.4 1.0 HG13 B:ILE310 4.7 23.2 1.0 CD2 B:LEU98 4.7 17.8 1.0 N B:ILE310 4.8 15.4 1.0 HD21 B:LEU98 4.8 21.4 1.0 CD B:PRO314 4.8 15.2 1.0 N B:VAL311 4.8 15.3 1.0 CB B:LYS315 4.8 16.2 1.0 CA B:LYS315 4.9 14.8 1.0 HG2 B:PRO314 4.9 21.3 1.0 HB B:ILE310 4.9 20.4 1.0 HD12 B:LEU98 4.9 19.6 1.0 C B:SER175 4.9 15.0 1.0 HE3 B:LYS315 5.0 29.4 1.0

A.A.Sohail, R.Recacha, L.W.Ruddock. Crystal Structure of Candida Antarctica Lipase B with the Putative Pro-Peptide Region To Be Published.