Zinc in PDB 7nlk: Lasb, N-Aryl-2-Butylmercaptoacetamide

The structure of Lasb, N-Aryl-2-Butylmercaptoacetamide, PDB code: 7nlk was solved by J.Koehnke, A.Sikandar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.99 / 1.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	43.771, 91.977, 67.088, 90, 92.8, 90
R / Rfree (%)	16.3 / 19.1

The structure of Lasb, N-Aryl-2-Butylmercaptoacetamide also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Zinc atom in the Lasb, N-Aryl-2-Butylmercaptoacetamide (pdb code 7nlk). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Lasb, N-Aryl-2-Butylmercaptoacetamide, PDB code: 7nlk:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Lasb, N-Aryl-2-Butylmercaptoacetamide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Lasb, N-Aryl-2-Butylmercaptoacetamide within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:8.1 occ:1.00 OE2 A:GLU164 2.0 10.2 1.0 NE2 A:HIS144 2.1 8.1 1.0 NE2 A:HIS140 2.1 6.3 1.0 S09 A:UHK403 2.3 14.7 1.0 CD A:GLU164 2.9 12.9 1.0 CE1 A:HIS144 3.0 7.4 1.0 CD2 A:HIS140 3.0 6.3 1.0 OE1 A:GLU164 3.1 8.3 1.0 CE1 A:HIS140 3.1 8.3 1.0 CD2 A:HIS144 3.2 10.2 1.0 C08 A:UHK403 3.2 27.6 1.0 OH A:TYR155 3.7 11.5 1.0 OE2 A:GLU141 4.1 17.2 1.0 ND1 A:HIS144 4.2 7.9 1.0 C07 A:UHK403 4.2 30.4 1.0 CG A:HIS140 4.2 5.9 1.0 ND1 A:HIS140 4.2 6.4 1.0 CG A:GLU164 4.2 7.9 1.0 CG A:HIS144 4.3 8.1 1.0 NE2 A:HIS223 4.3 12.7 1.0 O A:HOH690 4.4 38.3 1.0 C10 A:UHK403 4.4 36.5 1.0 O14 A:UHK403 4.5 16.3 1.0 CD2 A:HIS223 4.7 12.1 1.0 CB A:SER167 4.7 6.9 1.0 CZ A:TYR155 4.7 14.9 1.0 CE1 A:TYR155 4.8 9.1 1.0 CA A:GLU164 4.9 6.2 1.0 OG A:SER167 5.0 7.3 1.0

Zinc binding site 2 out of 2 in the Lasb, N-Aryl-2-Butylmercaptoacetamide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Lasb, N-Aryl-2-Butylmercaptoacetamide within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn401 b:8.7 occ:1.00 OE2 B:GLU164 2.0 12.5 1.0 NE2 B:HIS140 2.1 7.0 1.0 NE2 B:HIS144 2.2 9.7 1.0 S09 B:UHK403 2.3 13.8 1.0 CD B:GLU164 2.8 10.6 1.0 CD2 B:HIS140 3.1 7.9 1.0 OE1 B:GLU164 3.1 10.6 1.0 CE1 B:HIS144 3.1 8.6 1.0 CE1 B:HIS140 3.1 7.3 1.0 C08 B:UHK403 3.2 31.4 1.0 CD2 B:HIS144 3.2 10.7 1.0 OH B:TYR155 3.8 15.7 1.0 C07 B:UHK403 4.1 32.9 1.0 OE1 B:GLU141 4.1 17.3 1.0 ND1 B:HIS140 4.2 4.8 1.0 CG B:HIS140 4.2 5.8 1.0 ND1 B:HIS144 4.2 9.2 1.0 CG B:GLU164 4.2 11.1 1.0 CG B:HIS144 4.3 8.7 1.0 NE2 B:HIS223 4.3 13.9 1.0 O14 B:UHK403 4.4 18.9 1.0 C10 B:UHK403 4.4 33.8 1.0 CD2 B:HIS223 4.6 13.3 1.0 CB B:SER167 4.7 6.0 1.0 CZ B:TYR155 4.7 12.6 1.0 CE1 B:TYR155 4.9 10.8 1.0 CA B:GLU164 4.9 6.3 1.0 OG B:SER167 5.0 7.0 1.0

J.Koehnke, A.Sikandar. Lasb, N-Aryl-2-Butylmercaptoacetamide Inhibitor Complex To Be Published.