Zinc in PDB 3un6: 2.0 Angstrom Crystal Structure of Ligand Binding Component of Abc-Type Import System From Staphylococcus Aureus with Zinc Bound

The structure of 2.0 Angstrom Crystal Structure of Ligand Binding Component of Abc-Type Import System From Staphylococcus Aureus with Zinc Bound, PDB code: 3un6 was solved by G.Minasov, Z.Wawrzak, A.Halavaty, L.Shuvalova, I.Dubrovska, J.Winsor, O.Kiryukhina, F.Bagnoli, F.Falugi, M.Bottomley, G.Grandi, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.99 / 2.01
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	45.080, 64.732, 45.468, 90.00, 91.50, 90.00
R / Rfree (%)	16.4 / 20.6

The binding sites of Zinc atom in the 2.0 Angstrom Crystal Structure of Ligand Binding Component of Abc-Type Import System From Staphylococcus Aureus with Zinc Bound (pdb code 3un6). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the 2.0 Angstrom Crystal Structure of Ligand Binding Component of Abc-Type Import System From Staphylococcus Aureus with Zinc Bound, PDB code: 3un6:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the 2.0 Angstrom Crystal Structure of Ligand Binding Component of Abc-Type Import System From Staphylococcus Aureus with Zinc Bound


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of 2.0 Angstrom Crystal Structure of Ligand Binding Component of Abc-Type Import System From Staphylococcus Aureus with Zinc Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn325 b:23.0 occ:1.00 ND1 A:HIS46 2.1 20.1 1.0 SG A:CYS221 2.3 19.8 1.0 O A:HOH330 2.4 17.7 1.0 SG A:CYS220 2.4 17.8 1.0 CE1 A:HIS46 3.0 26.5 1.0 CG A:HIS46 3.2 22.2 1.0 CB A:CYS221 3.4 16.9 1.0 CB A:CYS220 3.4 18.6 1.0 N A:CYS221 3.5 19.4 1.0 CB A:HIS46 3.6 20.9 1.0 CD2 A:LEU93 3.9 20.2 1.0 C A:CYS220 3.9 18.5 1.0 CA A:CYS221 4.0 19.1 1.0 NE2 A:HIS114 4.0 21.8 1.0 NE2 A:HIS46 4.1 23.7 1.0 CD2 A:HIS46 4.3 23.2 1.0 CA A:CYS220 4.3 20.0 1.0 CD1 A:ILE44 4.3 17.4 1.0 CE1 A:HIS149 4.3 26.2 1.0 CB A:ALA192 4.5 20.4 1.0 O A:CYS220 4.5 21.3 1.0 CE1 A:HIS114 4.6 26.2 1.0 NE2 A:HIS149 4.7 21.8 1.0 ZN A:ZN326 4.7 23.0 0.5 OD1 A:ASN118 4.8 19.1 1.0 O A:HOH350 4.8 26.6 1.0 O A:HOH331 4.8 18.5 1.0 CD2 A:HIS114 4.9 26.0 1.0

Zinc binding site 2 out of 2 in the 2.0 Angstrom Crystal Structure of Ligand Binding Component of Abc-Type Import System From Staphylococcus Aureus with Zinc Bound


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of 2.0 Angstrom Crystal Structure of Ligand Binding Component of Abc-Type Import System From Staphylococcus Aureus with Zinc Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn326 b:23.0 occ:0.50 O A:HOH330 2.3 17.7 1.0 CG2 A:VAL191 3.7 21.4 1.0 NE1 A:TRP75 3.7 19.4 1.0 N A:ALA192 3.8 20.2 1.0 CG A:PRO143 3.8 22.5 1.0 CB A:ALA192 3.8 20.4 1.0 CE1 A:HIS149 3.9 26.2 1.0 CZ2 A:TRP75 3.9 21.0 1.0 CD1 A:ILE44 4.0 17.4 1.0 CB A:PRO143 4.0 22.6 1.0 CG A:PRO174 4.1 25.1 1.0 NE2 A:HIS149 4.1 21.8 1.0 CE2 A:TRP75 4.2 21.9 1.0 CA A:ALA192 4.4 20.2 1.0 CG2 A:ILE44 4.5 21.1 1.0 CD2 A:LEU93 4.6 20.2 1.0 ZN A:ZN325 4.7 23.0 1.0 CA A:VAL191 4.7 19.5 1.0 C A:VAL191 4.7 19.9 1.0 ND1 A:HIS149 4.8 23.6 1.0 CB A:PRO174 4.8 26.5 1.0 CB A:VAL191 4.9 20.7 1.0 CD1 A:TRP75 5.0 25.3 1.0

G.Minasov, Z.Wawrzak, A.Halavaty, L.Shuvalova, I.Dubrovska, J.Winsor, O.Kiryukhina, F.Bagnoli, F.Falugi, M.Bottomley, G.Grandi, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid). 2.0 Angstrom Crystal Structure of Ligand Binding Component of Abc-Type Import System From Staphylococcus Aureus with Zinc Bound. To Be Published.