Zinc in PDB 9n0j: Crystal Structure of Kable Double Mutant (LYS14PRO, LEU20TRP) in Complex with 6-Nitrobenzotriazole

The structure of Crystal Structure of Kable Double Mutant (LYS14PRO, LEU20TRP) in Complex with 6-Nitrobenzotriazole, PDB code: 9n0j was solved by G.J.Correy, J.S.Fraser, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.12 / 1.54
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	44.601, 44.601, 128.033, 90, 90, 90
R / Rfree (%)	24.2 / 27.8

The structure of Crystal Structure of Kable Double Mutant (LYS14PRO, LEU20TRP) in Complex with 6-Nitrobenzotriazole also contains other interesting chemical elements:

Arsenic

(As)

1 atom

The binding sites of Zinc atom in the Crystal Structure of Kable Double Mutant (LYS14PRO, LEU20TRP) in Complex with 6-Nitrobenzotriazole (pdb code 9n0j). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Crystal Structure of Kable Double Mutant (LYS14PRO, LEU20TRP) in Complex with 6-Nitrobenzotriazole, PDB code: 9n0j:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Crystal Structure of Kable Double Mutant (LYS14PRO, LEU20TRP) in Complex with 6-Nitrobenzotriazole


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 Kable Double Mutant (LYS14PRO, LEU20TRP) in Complex with 6-Nitrobenzotriazole within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn205 b:34.8 occ:0.89 N1 A:3NY201 1.9 13.7 0.9 N1 A:3NY202 2.0 16.6 0.9 O2 A:CAC204 2.4 19.8 0.5 N2 A:3NY201 2.7 17.6 0.9 C7A A:3NY202 2.9 20.4 0.9 N2 A:3NY202 3.0 20.7 0.9 H7 A:3NY202 3.0 26.8 0.9 C7A A:3NY201 3.1 20.3 0.9 HD21 A:LEU71 3.3 24.4 1.0 C7 A:3NY202 3.4 22.4 0.9 O1 A:CAC204 3.6 19.8 0.5 AS A:CAC204 3.6 19.8 0.5 H7 A:3NY201 3.7 22.7 0.9 N3 A:3NY201 3.9 14.4 0.9 C7 A:3NY201 4.0 18.9 0.9 N3 A:3NY202 4.1 20.9 0.9 C3A A:3NY202 4.1 19.6 0.9 C3A A:3NY201 4.2 17.4 0.9 CD2 A:LEU71 4.2 20.3 1.0 O A:HOH303 4.3 30.0 1.0 H21 A:CAC204 4.4 23.7 0.5 HD11 A:LEU71 4.5 23.7 1.0 HD22 A:LEU71 4.5 24.4 1.0 HB1 A:ALA121 4.6 19.4 1.0 HD23 A:LEU71 4.6 24.4 1.0 C2 A:CAC204 4.7 19.8 0.5 C6 A:3NY202 4.8 19.1 0.9

Zinc binding site 2 out of 4 in the Crystal Structure of Kable Double Mutant (LYS14PRO, LEU20TRP) in Complex with 6-Nitrobenzotriazole


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 Kable Double Mutant (LYS14PRO, LEU20TRP) in Complex with 6-Nitrobenzotriazole within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn206 b:28.9 occ:0.62 OE1 A:GLU62 2.1 42.2 1.0 O A:HOH334 2.1 32.8 1.0 OE2 A:GLU62 2.3 48.4 1.0 CD A:GLU62 2.3 36.6 1.0 CG A:GLU62 3.8 34.9 1.0 HG2 A:GLU62 3.9 41.8 1.0 HG3 A:GLU62 4.3 41.8 1.0 HB3 A:GLU62 4.4 37.4 1.0 HA A:GLU62 4.6 40.6 1.0 CB A:GLU62 4.6 31.2 1.0

Zinc binding site 3 out of 4 in the Crystal Structure of Kable Double Mutant (LYS14PRO, LEU20TRP) in Complex with 6-Nitrobenzotriazole


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of Kable Double Mutant (LYS14PRO, LEU20TRP) in Complex with 6-Nitrobenzotriazole within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn207 b:25.4 occ:0.89 OE1 A:GLU124 1.9 22.7 1.0 N3 A:3NY202 1.9 20.9 0.9 O A:HOH322 2.1 31.1 0.9 CD A:GLU124 2.9 27.2 1.0 N2 A:3NY202 2.9 20.7 0.9 C3A A:3NY202 3.0 19.6 0.9 OE2 A:GLU124 3.2 27.5 1.0 HA A:ALA121 3.3 25.5 1.0 H4 A:3NY202 3.3 29.4 0.9 C4 A:3NY202 3.6 24.5 0.9 HB2 A:ALA121 3.8 19.4 1.0 HB1 A:ALA121 4.0 19.4 1.0 N1 A:3NY202 4.0 16.6 0.9 HB2 A:GLU124 4.1 28.1 1.0 CA A:ALA121 4.1 21.3 1.0 C7A A:3NY202 4.1 20.4 0.9 CB A:ALA121 4.2 16.2 1.0 O A:HOH319 4.2 33.0 1.0 CG A:GLU124 4.2 23.7 1.0 CB A:GLU124 4.6 23.4 1.0 HB3 A:GLU124 4.7 28.1 1.0 HG3 A:GLU124 4.7 28.4 1.0 H7 A:3NY201 4.7 22.7 0.9 HG2 A:GLU124 4.8 28.4 1.0 N A:ALA121 4.9 21.8 1.0 C5 A:3NY202 5.0 21.4 0.9

Zinc binding site 4 out of 4 in the Crystal Structure of Kable Double Mutant (LYS14PRO, LEU20TRP) in Complex with 6-Nitrobenzotriazole


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Crystal Structure of Kable Double Mutant (LYS14PRO, LEU20TRP) in Complex with 6-Nitrobenzotriazole within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn208 b:21.8 occ:0.89 O A:HOH339 1.9 29.8 0.9 OE2 A:GLU74 1.9 19.6 1.0 N3 A:3NY201 1.9 14.4 0.9 CD A:GLU74 2.7 19.7 1.0 OE1 A:GLU74 2.8 26.0 1.0 N2 A:3NY201 2.8 17.6 0.9 C3A A:3NY201 3.0 17.4 0.9 H4 A:3NY201 3.4 26.5 0.9 H21 A:CAC204 3.6 23.7 0.5 C4 A:3NY201 3.7 22.1 0.9 N1 A:3NY201 4.0 13.7 0.9 CG A:GLU74 4.1 22.4 1.0 C7A A:3NY201 4.2 20.3 0.9 HD23 A:LEU71 4.3 24.4 1.0 HG3 A:GLU74 4.4 26.9 1.0 O A:HOH303 4.4 30.0 1.0 HG2 A:GLU74 4.5 26.9 1.0 C2 A:CAC204 4.6 19.8 0.5 H23 A:CAC204 4.9 23.7 0.5 HD21 A:LEU71 4.9 24.4 1.0 CD2 A:LEU71 5.0 20.3 1.0

G.J.Correy, J.S.Fraser. De Novo Designed Kable Protein To Be Published.