Zinc in PDB 8aol: Crystal Structure of S-Layer Protein Slpx From Lactobacillus Acidophilus, Domain III (Aa 363-499)

The structure of Crystal Structure of S-Layer Protein Slpx From Lactobacillus Acidophilus, Domain III (Aa 363-499), PDB code: 8aol was solved by T.Sagmeister, E.Damisch, M.Eder, A.Dordic, D.Vejzovic, T.Pavkov-Keller, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.43 / 2.40
Space group	P 62 2 2
Cell size a, b, c (Å), α, β, γ (°)	133.174, 133.174, 70.572, 90, 90, 120
R / Rfree (%)	17.8 / 20.5

The structure of Crystal Structure of S-Layer Protein Slpx From Lactobacillus Acidophilus, Domain III (Aa 363-499) also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Zinc atom in the Crystal Structure of S-Layer Protein Slpx From Lactobacillus Acidophilus, Domain III (Aa 363-499) (pdb code 8aol). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the Crystal Structure of S-Layer Protein Slpx From Lactobacillus Acidophilus, Domain III (Aa 363-499), PDB code: 8aol:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in the Crystal Structure of S-Layer Protein Slpx From Lactobacillus Acidophilus, Domain III (Aa 363-499)


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 S-Layer Protein Slpx From Lactobacillus Acidophilus, Domain III (Aa 363-499) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn601 b:42.1 occ:1.00 O2 A:PO4605 2.0 57.8 1.0 P A:PO4605 3.0 46.8 1.0 ZN A:ZN602 3.1 43.1 1.0 ZN A:ZN603 3.2 38.9 1.0 O1 A:PO4605 3.2 39.8 1.0 O4 A:PO4605 3.5 39.5 1.0 NE2 A:HIS505 3.9 43.8 1.0 O A:HOH705 4.0 52.6 1.0 CD2 A:HIS505 4.2 49.1 1.0 HD2 A:HIS505 4.3 49.6 1.0 O3 A:PO4605 4.3 51.8 1.0 CE1 A:HIS505 4.4 51.1 1.0 HE1 A:HIS505 4.7 49.4 1.0 ND1 A:HIS440 5.0 34.8 1.0 CG A:HIS505 5.0 56.9 1.0

Zinc binding site 2 out of 3 in the Crystal Structure of S-Layer Protein Slpx From Lactobacillus Acidophilus, Domain III (Aa 363-499)


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 S-Layer Protein Slpx From Lactobacillus Acidophilus, Domain III (Aa 363-499) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn602 b:43.1 occ:1.00 NE2 A:HIS505 1.9 43.8 1.0 O4 A:PO4605 2.0 39.5 1.0 ND1 A:HIS502 2.0 49.5 1.0 CE1 A:HIS505 2.9 51.1 1.0 CD2 A:HIS505 2.9 49.1 1.0 CE1 A:HIS502 2.9 48.8 1.0 P A:PO4605 3.0 46.8 1.0 ZN A:ZN603 3.1 38.9 1.0 HE1 A:HIS505 3.1 49.4 1.0 HE1 A:HIS502 3.1 47.1 1.0 CG A:HIS502 3.1 53.2 1.0 O2 A:PO4605 3.1 57.8 1.0 HD2 A:HIS505 3.1 49.6 1.0 ZN A:ZN601 3.1 42.1 1.0 HB2 A:HIS502 3.3 55.0 1.0 HB3 A:HIS502 3.4 54.9 1.0 CB A:HIS502 3.5 57.5 1.0 ND1 A:HIS440 3.5 34.8 1.0 O1 A:PO4605 3.6 39.8 1.0 CE1 A:HIS440 3.9 39.4 1.0 HE1 A:HIS440 3.9 38.2 1.0 ND1 A:HIS505 4.0 50.4 1.0 CG A:HIS505 4.0 56.9 1.0 NE2 A:HIS502 4.1 41.0 1.0 CD2 A:HIS502 4.2 46.2 1.0 HB3 A:HIS440 4.3 38.2 1.0 CG A:HIS440 4.3 37.4 1.0 O3 A:PO4605 4.4 51.8 1.0 O A:HOH732 4.4 42.1 1.0 CB A:HIS440 4.8 36.8 1.0 O A:HOH705 4.8 52.6 1.0 NE2 A:HIS440 4.8 39.0 1.0 HE1 A:HIS504 5.0 69.9 1.0

Zinc binding site 3 out of 3 in the Crystal Structure of S-Layer Protein Slpx From Lactobacillus Acidophilus, Domain III (Aa 363-499)


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 S-Layer Protein Slpx From Lactobacillus Acidophilus, Domain III (Aa 363-499) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn603 b:38.9 occ:1.00 O1 A:PO4605 2.0 39.8 1.0 ND1 A:HIS440 2.0 34.8 1.0 CE1 A:HIS440 2.8 39.4 1.0 P A:PO4605 2.9 46.8 1.0 HE1 A:HIS440 2.9 38.2 1.0 O4 A:PO4605 3.0 39.5 1.0 ZN A:ZN602 3.1 43.1 1.0 HB3 A:HIS440 3.1 38.2 1.0 CG A:HIS440 3.1 37.4 1.0 ZN A:ZN601 3.2 42.1 1.0 O2 A:PO4605 3.6 57.8 1.0 CB A:HIS440 3.6 36.8 1.0 O A:HOH703 3.7 41.9 1.0 ND1 A:HIS502 4.0 49.5 1.0 HA A:HIS440 4.0 41.4 1.0 NE2 A:HIS440 4.1 39.0 1.0 HE1 A:HIS502 4.1 47.1 1.0 CD2 A:HIS440 4.2 40.4 1.0 O3 A:PO4605 4.3 51.8 1.0 CE1 A:HIS502 4.3 48.8 1.0 HB2 A:HIS440 4.4 38.2 1.0 CA A:HIS440 4.4 42.7 1.0 O A:LYS439 4.6 49.6 1.0 O A:HOH741 4.8 23.1 0.5 NE2 A:HIS505 4.9 43.8 1.0 H A:ASN441 4.9 41.7 1.0 HB2 A:HIS502 4.9 55.0 1.0 CG A:HIS502 5.0 53.2 1.0

T.Sagmeister, N.Gubensaek, C.Buhlheller, C.Grininger, M.Eder, D.Vejzovic, A.Dordic, T.Pavkov-Keller. Crystal Structure of S-Layer Protein Slpx From Lactobacillus Acidophilus, Domain III (Aa 363-499) To Be Published.