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

Protein crystallography data

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

Other elements in 7nlk:

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

Calcium (Ca) 2 atoms

Zinc Binding Sites:

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 7nlk

Go back to Zinc Binding Sites List in 7nlk
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 7nlk

Go back to Zinc Binding Sites List in 7nlk
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

Reference:

J.Koehnke, A.Sikandar. Lasb, N-Aryl-2-Butylmercaptoacetamide Inhibitor Complex To Be Published.
Page generated: Sat Apr 8 01:02:37 2023

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