Zinc in PDB 8p96: Target Complex 3

All present enzymatic activity of Target Complex 3:
3.1.4.54;

The structure of Target Complex 3, PDB code: 8p96 was solved by G.Garau, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	65.84 / 2.86
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	94.349, 94.349, 444.751, 90, 90, 120
R / Rfree (%)	25.3 / 28.1

The binding sites of Zinc atom in the Target Complex 3 (pdb code 8p96). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Target Complex 3, PDB code: 8p96:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Target Complex 3


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Target Complex 3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:71.5 occ:1.00 O12 A:3PE403 2.2 73.7 1.0 NE2 A:HIS185 2.3 59.6 1.0 ND1 A:HIS187 2.3 71.5 1.0 NE2 A:HIS253 2.3 70.0 1.0 OD2 A:ASP284 2.5 67.8 1.0 P A:3PE403 2.9 75.5 1.0 O14 A:3PE403 3.0 68.0 1.0 CE1 A:HIS187 3.1 69.4 1.0 ZN A:ZN402 3.2 75.4 1.0 CD2 A:HIS253 3.2 70.8 1.0 CE1 A:HIS185 3.2 63.6 1.0 CD2 A:HIS185 3.3 59.3 1.0 CE1 A:HIS253 3.3 69.4 1.0 CG A:HIS187 3.4 77.4 1.0 CG A:ASP284 3.6 65.6 1.0 NE2 A:HIS190 3.7 62.0 1.0 CB A:HIS187 3.8 73.7 1.0 CB A:ASP284 3.9 66.4 1.0 O11 A:3PE403 3.9 82.2 1.0 CD2 A:HIS190 4.0 68.8 1.0 C1 A:3PE403 4.0 73.9 1.0 NE2 A:HIS321 4.2 81.2 1.0 O13 A:3PE403 4.3 73.4 1.0 NE2 A:HIS187 4.3 74.0 1.0 ND1 A:HIS185 4.3 65.8 1.0 CG A:HIS253 4.4 70.5 1.0 ND1 A:HIS253 4.4 71.4 1.0 CG A:HIS185 4.4 67.2 1.0 OD1 A:ASP189 4.4 69.6 1.0 CD2 A:HIS187 4.4 79.8 1.0 OD1 A:ASP284 4.7 69.8 1.0 OD2 A:ASP189 4.7 64.9 1.0 CE1 A:HIS190 4.7 68.8 1.0 CE1 A:HIS321 5.0 78.5 1.0

Zinc binding site 2 out of 4 in the Target Complex 3


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Target Complex 3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn402 b:75.4 occ:1.00 O14 A:3PE403 2.1 68.0 1.0 OD2 A:ASP189 2.2 64.9 1.0 NE2 A:HIS190 2.3 62.0 1.0 NE2 A:HIS343 2.3 59.3 1.0 OD2 A:ASP284 2.3 67.8 1.0 CE1 A:HIS343 2.9 60.4 1.0 ZN A:ZN401 3.2 71.5 1.0 CD2 A:HIS190 3.2 68.8 1.0 CG A:ASP189 3.2 67.7 1.0 CE1 A:HIS190 3.3 68.8 1.0 CG A:ASP284 3.3 65.6 1.0 P A:3PE403 3.4 75.5 1.0 OD1 A:ASP189 3.5 69.6 1.0 CD2 A:HIS343 3.5 56.6 1.0 OD1 A:ASP284 3.7 69.8 1.0 NE2 A:HIS132 3.9 57.3 1.0 O12 A:3PE403 4.1 73.7 1.0 NE2 A:HIS321 4.2 81.2 1.0 ND1 A:HIS343 4.2 64.3 1.0 CE1 A:HIS321 4.3 78.5 1.0 CD2 A:LEU349 4.4 76.0 1.0 CG A:HIS190 4.4 71.8 1.0 ND1 A:HIS190 4.4 62.4 1.0 NE2 A:HIS185 4.4 59.6 1.0 O13 A:3PE403 4.4 73.4 1.0 O11 A:3PE403 4.4 82.2 1.0 CG A:HIS343 4.5 59.2 1.0 CB A:ASP189 4.6 61.1 1.0 CE1 A:HIS185 4.6 63.6 1.0 CB A:ASP284 4.6 66.4 1.0 CE1 A:HIS132 4.7 56.3 1.0 CD2 A:HIS132 4.8 63.5 1.0

Zinc binding site 3 out of 4 in the Target Complex 3


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Target Complex 3 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn603 b:63.0 occ:1.00 O12 B:3PE605 2.2 61.5 1.0 NE2 B:HIS253 2.3 65.0 1.0 ND1 B:HIS187 2.3 60.1 1.0 NE2 B:HIS185 2.3 54.2 1.0 OD2 B:ASP284 2.6 63.0 1.0 P B:3PE605 3.1 58.5 1.0 CE1 B:HIS187 3.2 65.6 1.0 CE1 B:HIS185 3.2 52.8 1.0 ZN B:ZN604 3.2 66.2 1.0 CE1 B:HIS253 3.2 61.9 1.0 CD2 B:HIS253 3.3 60.3 1.0 CD2 B:HIS185 3.3 54.9 1.0 CG B:HIS187 3.3 63.1 1.0 C1 B:3PE605 3.4 58.3 1.0 O14 B:3PE605 3.5 59.4 1.0 CG B:ASP284 3.6 61.5 1.0 O11 B:3PE605 3.6 58.5 1.0 CB B:HIS187 3.7 64.3 1.0 NE2 B:HIS190 3.9 58.0 1.0 CB B:ASP284 3.9 61.4 1.0 CD2 B:HIS190 4.1 58.9 1.0 ND1 B:HIS185 4.3 61.5 1.0 NE2 B:HIS187 4.3 62.7 1.0 ND1 B:HIS253 4.3 60.5 1.0 CG B:HIS185 4.4 62.1 1.0 OD1 B:ASP189 4.4 64.9 1.0 CG B:HIS253 4.4 59.7 1.0 CD2 B:HIS187 4.4 61.9 1.0 OD2 B:ASP189 4.4 58.0 1.0 O13 B:3PE605 4.6 73.0 1.0 OD1 B:ASP284 4.6 64.7 1.0 NE2 B:HIS321 4.7 64.8 1.0 CE1 B:HIS321 4.8 66.3 1.0 C2 B:3PE605 4.8 68.2 1.0 CE1 B:HIS190 4.8 56.1 1.0 CG B:ASP189 4.9 63.7 1.0

Zinc binding site 4 out of 4 in the Target Complex 3


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Target Complex 3 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn604 b:66.2 occ:1.00 O14 B:3PE605 2.0 59.4 1.0 OD2 B:ASP284 2.1 63.0 1.0 NE2 B:HIS190 2.3 58.0 1.0 NE2 B:HIS343 2.3 55.6 1.0 OD2 B:ASP189 2.3 58.0 1.0 CE1 B:HIS343 3.0 56.9 1.0 CG B:ASP284 3.1 61.5 1.0 P B:3PE605 3.2 58.5 1.0 ZN B:ZN603 3.2 63.0 1.0 CD2 B:HIS190 3.3 58.9 1.0 CE1 B:HIS190 3.3 56.1 1.0 CG B:ASP189 3.4 63.7 1.0 OD1 B:ASP284 3.5 64.7 1.0 CD2 B:HIS343 3.5 56.3 1.0 O12 B:3PE605 3.6 61.5 1.0 OD1 B:ASP189 3.9 64.9 1.0 NE2 B:HIS132 4.0 49.7 1.0 CD1 B:LEU349 4.1 63.7 1.0 O11 B:3PE605 4.1 58.5 1.0 CE1 B:HIS321 4.2 66.3 1.0 ND1 B:HIS343 4.2 63.3 1.0 NE2 B:HIS185 4.4 54.2 1.0 CE1 B:HIS185 4.4 52.8 1.0 ND1 B:HIS190 4.4 52.6 1.0 O13 B:3PE605 4.4 73.0 1.0 CG B:HIS190 4.4 59.1 1.0 CB B:ASP284 4.4 61.4 1.0 CG B:HIS343 4.5 60.5 1.0 NE2 B:HIS321 4.6 64.8 1.0 CB B:ASP189 4.7 63.3 1.0 C1 B:3PE605 4.8 58.3 1.0 CE1 B:HIS132 4.8 50.8 1.0 CD2 B:HIS132 4.8 58.4 1.0 NE2 B:HIS253 4.9 65.0 1.0

G.Garau, G.Garau. N/A N/A.