Zinc in PDB 3adr: The First Crystal Structure of An Archaeal Metallo-Beta-Lactamase Superfamily Protein; ST1585 From Sulfolobus Tokodaii

The structure of The First Crystal Structure of An Archaeal Metallo-Beta-Lactamase Superfamily Protein; ST1585 From Sulfolobus Tokodaii, PDB code: 3adr was solved by A.Shimada, H.Ishikawa, N.Nakagawa, S.Kuramitsu, R.Masui, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.99 / 1.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	163.970, 45.230, 110.890, 90.00, 131.64, 90.00
R / Rfree (%)	19.9 / 21.6

The binding sites of Zinc atom in the The First Crystal Structure of An Archaeal Metallo-Beta-Lactamase Superfamily Protein; ST1585 From Sulfolobus Tokodaii (pdb code 3adr). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the The First Crystal Structure of An Archaeal Metallo-Beta-Lactamase Superfamily Protein; ST1585 From Sulfolobus Tokodaii, PDB code: 3adr:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the The First Crystal Structure of An Archaeal Metallo-Beta-Lactamase Superfamily Protein; ST1585 From Sulfolobus Tokodaii


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of The First Crystal Structure of An Archaeal Metallo-Beta-Lactamase Superfamily Protein; ST1585 From Sulfolobus Tokodaii within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn262 b:28.8 occ:1.00 O A:HOH363 2.1 11.5 1.0 NE2 A:HIS148 2.1 11.4 1.0 NE2 A:HIS58 2.3 11.6 1.0 ND1 A:HIS60 2.3 15.1 1.0 OD2 A:ASP165 2.5 13.0 1.0 O A:HOH419 2.5 37.3 1.0 CE1 A:HIS148 3.0 9.9 1.0 CD2 A:HIS58 3.1 13.0 1.0 CD2 A:HIS148 3.1 11.0 1.0 CE1 A:HIS60 3.2 17.1 1.0 CG A:HIS60 3.3 15.7 1.0 ZN A:ZN263 3.3 21.4 1.0 CE1 A:HIS58 3.3 11.6 1.0 CG A:ASP165 3.4 12.5 1.0 CB A:HIS60 3.6 13.3 1.0 CB A:ASP165 3.8 11.0 1.0 NE2 A:HIS63 4.0 12.0 1.0 ND1 A:HIS148 4.1 11.7 1.0 CG A:HIS148 4.2 11.6 1.0 CG A:HIS58 4.3 10.0 1.0 CD2 A:HIS63 4.3 12.6 1.0 NE2 A:HIS60 4.3 17.9 1.0 CD2 A:HIS60 4.4 16.8 1.0 ND1 A:HIS58 4.4 10.9 1.0 OD1 A:ASP165 4.5 14.9 1.0 OD1 A:ASP62 4.6 14.6 1.0 CG A:PRO180 4.8 23.9 1.0 OD2 A:ASP62 4.9 15.7 1.0 CE1 A:HIS63 4.9 11.3 1.0

Zinc binding site 2 out of 4 in the The First Crystal Structure of An Archaeal Metallo-Beta-Lactamase Superfamily Protein; ST1585 From Sulfolobus Tokodaii


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of The First Crystal Structure of An Archaeal Metallo-Beta-Lactamase Superfamily Protein; ST1585 From Sulfolobus Tokodaii within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn263 b:21.4 occ:1.00 O A:HOH363 2.1 11.5 1.0 NE2 A:HIS207 2.1 13.9 1.0 NE2 A:HIS63 2.2 12.0 1.0 OD2 A:ASP165 2.2 13.0 1.0 OD2 A:ASP62 2.3 15.7 1.0 CG A:ASP165 3.1 12.5 1.0 CE1 A:HIS207 3.1 15.8 1.0 CE1 A:HIS63 3.1 11.3 1.0 CD2 A:HIS207 3.2 14.0 1.0 CD2 A:HIS63 3.2 12.6 1.0 CG A:ASP62 3.2 18.4 1.0 ZN A:ZN262 3.3 28.8 1.0 OD1 A:ASP165 3.3 14.9 1.0 OD1 A:ASP62 3.5 14.6 1.0 O A:HOH419 3.7 37.3 1.0 NE2 A:HIS58 4.1 11.6 1.0 ND1 A:HIS207 4.2 13.1 1.0 ND1 A:HIS63 4.3 12.7 1.0 CG A:HIS207 4.3 14.4 1.0 CG A:HIS63 4.3 12.4 1.0 CE1 A:HIS58 4.3 11.6 1.0 CB A:ASP165 4.5 11.0 1.0 CB A:ASP62 4.5 13.6 1.0

Zinc binding site 3 out of 4 in the The First Crystal Structure of An Archaeal Metallo-Beta-Lactamase Superfamily Protein; ST1585 From Sulfolobus Tokodaii


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of The First Crystal Structure of An Archaeal Metallo-Beta-Lactamase Superfamily Protein; ST1585 From Sulfolobus Tokodaii within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn262 b:30.2 occ:1.00 O B:HOH269 2.1 13.4 1.0 NE2 B:HIS148 2.1 14.0 1.0 NE2 B:HIS58 2.3 12.1 1.0 ND1 B:HIS60 2.4 17.6 1.0 OD2 B:ASP165 2.5 11.7 1.0 CE1 B:HIS148 3.0 13.7 1.0 CD2 B:HIS58 3.1 11.8 1.0 CD2 B:HIS148 3.2 13.8 1.0 ZN B:ZN263 3.2 21.8 1.0 CE1 B:HIS60 3.2 20.8 1.0 CE1 B:HIS58 3.3 10.1 1.0 CG B:HIS60 3.4 17.9 1.0 CG B:ASP165 3.4 17.1 1.0 CB B:HIS60 3.7 16.1 1.0 CB B:ASP165 3.7 12.3 1.0 NE2 B:HIS63 4.0 12.0 1.0 ND1 B:HIS148 4.1 13.8 1.0 CG B:HIS148 4.2 13.8 1.0 CD2 B:HIS63 4.3 10.1 1.0 CG B:HIS58 4.3 9.9 1.0 NE2 B:HIS60 4.4 19.0 1.0 OD1 B:ASP165 4.4 16.6 1.0 ND1 B:HIS58 4.4 12.0 1.0 CD2 B:HIS60 4.4 19.5 1.0 OD1 B:ASP62 4.5 15.4 1.0 CG B:PRO180 4.8 23.7 1.0 OD2 B:ASP62 4.8 14.1 1.0 CE1 B:HIS63 4.9 12.7 1.0

Zinc binding site 4 out of 4 in the The First Crystal Structure of An Archaeal Metallo-Beta-Lactamase Superfamily Protein; ST1585 From Sulfolobus Tokodaii


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of The First Crystal Structure of An Archaeal Metallo-Beta-Lactamase Superfamily Protein; ST1585 From Sulfolobus Tokodaii within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn263 b:21.8 occ:1.00 O B:HOH269 2.0 13.4 1.0 NE2 B:HIS207 2.2 10.1 1.0 NE2 B:HIS63 2.2 12.0 1.0 OD2 B:ASP165 2.2 11.7 1.0 OD2 B:ASP62 2.3 14.1 1.0 CG B:ASP165 3.1 17.1 1.0 CE1 B:HIS207 3.1 12.1 1.0 CD2 B:HIS63 3.2 10.1 1.0 CE1 B:HIS63 3.2 12.7 1.0 CD2 B:HIS207 3.2 11.7 1.0 CG B:ASP62 3.2 15.7 1.0 ZN B:ZN262 3.2 30.2 1.0 OD1 B:ASP165 3.3 16.6 1.0 OD1 B:ASP62 3.5 15.4 1.0 NE2 B:HIS58 4.1 12.1 1.0 ND1 B:HIS207 4.2 12.2 1.0 ND1 B:HIS63 4.3 13.4 1.0 CG B:HIS207 4.3 12.2 1.0 CG B:HIS63 4.3 12.9 1.0 CE1 B:HIS58 4.3 10.1 1.0 CB B:ASP165 4.5 12.3 1.0 CB B:ASP62 4.5 13.8 1.0 NE2 B:HIS148 5.0 14.0 1.0

A.Shimada, H.Ishikawa, N.Nakagawa, S.Kuramitsu, R.Masui. The First Crystal Structure of An Archaeal Metallo-Beta-Lactamase Superfamily Protein; ST1585 From Sulfolobus Tokodaii Proteins V. 78 2399 2010.
ISSN: ISSN 0887-3585
PubMed: 20544975
DOI: 10.1002/PROT.22749