Zinc in PDB 3ay2: Crystal Structure of Neisserial Azurin

The structure of Crystal Structure of Neisserial Azurin, PDB code: 3ay2 was solved by A.Ochiai, W.Hashimoto, T.Yamada, A.M.Chakrabarty, K.Murata, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.64 / 1.90
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	77.513, 77.513, 94.577, 90.00, 90.00, 120.00
R / Rfree (%)	19.1 / 22.5

The binding sites of Zinc atom in the Crystal Structure of Neisserial Azurin (pdb code 3ay2). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of Neisserial Azurin, PDB code: 3ay2:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of Neisserial Azurin


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 Neisserial Azurin within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1001 b:20.7 occ:1.00 ND1 A:HIS102 1.9 16.6 1.0 ND1 A:HIS171 2.1 22.7 1.0 O A:GLY101 2.2 17.8 1.0 SG A:CYS166 2.3 18.2 1.0 CE1 A:HIS102 2.8 18.6 1.0 CE1 A:HIS171 3.0 23.9 1.0 CG A:HIS102 3.1 17.3 1.0 CG A:HIS171 3.2 24.6 1.0 CA A:HIS102 3.2 16.7 1.0 C A:GLY101 3.2 17.8 1.0 CB A:CYS166 3.4 18.2 1.0 SD A:MET175 3.5 25.8 1.0 CB A:HIS171 3.5 25.4 1.0 CB A:HIS102 3.5 16.6 1.0 N A:HIS102 3.6 17.5 1.0 CB A:PHE168 3.7 20.4 1.0 NE2 A:HIS102 4.0 16.8 1.0 CD2 A:HIS102 4.1 18.0 1.0 NE2 A:HIS171 4.2 23.1 1.0 CE A:MET175 4.2 25.5 1.0 CD2 A:HIS171 4.3 23.8 1.0 CG A:PHE168 4.3 20.3 1.0 C A:HIS102 4.5 16.6 1.0 CA A:GLY101 4.6 18.8 1.0 N A:ASN103 4.6 16.0 1.0 CD2 A:PHE168 4.8 20.9 1.0 O A:MET100 4.8 21.3 1.0 N A:GLY101 4.8 19.9 1.0 CA A:CYS166 4.8 18.1 1.0 CA A:PHE168 4.9 20.9 1.0 C A:MET100 4.9 20.9 1.0 N A:PHE168 4.9 20.1 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Neisserial Azurin


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 Neisserial Azurin within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1001 b:19.7 occ:1.00 ND1 B:HIS102 1.9 16.0 1.0 ND1 B:HIS171 2.2 23.4 1.0 O B:GLY101 2.3 18.1 1.0 SG B:CYS166 2.3 17.8 1.0 CE1 B:HIS102 2.8 18.8 1.0 CG B:HIS102 3.0 16.7 1.0 CE1 B:HIS171 3.1 23.9 1.0 CA B:HIS102 3.2 17.2 1.0 CG B:HIS171 3.2 23.6 1.0 C B:GLY101 3.3 18.8 1.0 CB B:CYS166 3.4 19.1 1.0 CB B:HIS102 3.5 17.4 1.0 SD B:MET175 3.6 23.9 1.0 CB B:HIS171 3.6 24.3 1.0 N B:HIS102 3.6 18.0 1.0 CB B:PHE168 3.7 19.6 1.0 NE2 B:HIS102 4.0 16.8 1.0 CD2 B:HIS102 4.1 17.1 1.0 NE2 B:HIS171 4.2 22.2 1.0 CE B:MET175 4.3 24.6 1.0 CD2 B:HIS171 4.3 22.7 1.0 CG B:PHE168 4.4 20.2 1.0 C B:HIS102 4.4 16.9 1.0 N B:ASN103 4.6 17.0 1.0 CA B:GLY101 4.6 19.4 1.0 O B:MET100 4.8 22.3 1.0 CA B:CYS166 4.8 18.7 1.0 N B:GLY101 4.8 20.7 1.0 CD2 B:PHE168 4.8 21.3 1.0 C B:MET100 4.9 21.8 1.0 N B:PHE168 4.9 18.7 1.0 CA B:PHE168 4.9 20.0 1.0

W.Hashimoto, A.Ochiai, T.Yamada, A.M.Chakrabarty, K.Murata. Crystal Structure of Neisserial Azurin To Be Published.