Zinc in PDB 1ani: Alkaline Phosphatase (D153H, K328H)

All present enzymatic activity of Alkaline Phosphatase (D153H, K328H):
3.1.3.1;

The structure of Alkaline Phosphatase (D153H, K328H), PDB code: 1ani was solved by J.E.Murphy, T.T.Tibbitts, E.R.Kantrowitz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 2.50
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	194.600, 167.300, 76.300, 90.00, 90.00, 90.00
R / Rfree (%)	17.6 / n/a

The binding sites of Zinc atom in the Alkaline Phosphatase (D153H, K328H) (pdb code 1ani). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 6 binding sites of Zinc where determined in the Alkaline Phosphatase (D153H, K328H), PDB code: 1ani:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6;

Zinc binding site 1 out of 6 in the Alkaline Phosphatase (D153H, K328H)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Alkaline Phosphatase (D153H, K328H) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn450 b:12.7 occ:1.00 NE2 A:HIS412 2.0 16.4 1.0 OD2 A:ASP327 2.1 13.7 1.0 NE2 A:HIS331 2.1 11.3 1.0 OD1 A:ASP327 2.3 2.0 1.0 CG A:ASP327 2.6 2.0 1.0 CE1 A:HIS412 2.8 5.7 1.0 O2 A:PO4453 2.8 68.5 0.7 CE1 A:HIS331 3.1 3.1 1.0 CD2 A:HIS412 3.2 23.0 1.0 CD2 A:HIS331 3.2 3.0 1.0 O1 A:PO4453 3.7 74.4 0.7 OG A:SER102 3.8 5.0 1.0 P A:PO4453 3.8 69.4 0.7 ND1 A:HIS412 4.0 10.7 1.0 NE2 A:HIS372 4.0 5.0 1.0 CB A:ASP327 4.1 6.3 1.0 CE1 A:HIS370 4.2 16.2 1.0 NE2 A:HIS370 4.2 20.6 1.0 CG A:HIS412 4.2 7.5 1.0 ND1 A:HIS331 4.2 6.4 1.0 ZN A:ZN451 4.2 15.6 1.0 CG A:HIS331 4.3 8.8 1.0 OD1 A:ASP51 4.6 8.6 1.0 CD2 A:HIS372 4.8 6.7 1.0 O3 A:PO4453 4.8 78.2 0.7 O4 A:PO4453 4.8 76.5 0.7 O A:ASP327 4.8 12.6 1.0 CE1 A:HIS372 4.9 18.6 1.0 CA A:ASP327 4.9 3.5 1.0 C A:ASP327 5.0 15.2 1.0

Zinc binding site 2 out of 6 in the Alkaline Phosphatase (D153H, K328H)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Alkaline Phosphatase (D153H, K328H) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn451 b:15.6 occ:1.00 OD2 A:ASP369 1.9 10.4 1.0 OD1 A:ASP51 1.9 8.6 1.0 NE2 A:HIS370 2.0 20.6 1.0 OG A:SER102 2.2 5.0 1.0 CG A:ASP51 2.8 9.3 1.0 CG A:ASP369 2.9 7.1 1.0 CE1 A:HIS370 3.0 16.2 1.0 CB A:SER102 3.0 5.9 1.0 CD2 A:HIS370 3.0 10.7 1.0 OD2 A:ASP51 3.1 14.8 1.0 OD1 A:ASP369 3.2 9.0 1.0 CA A:SER102 3.4 6.0 1.0 N A:SER102 4.0 2.4 1.0 CE1 A:HIS412 4.0 5.7 1.0 ND1 A:HIS370 4.0 16.1 1.0 CG A:HIS370 4.0 5.4 1.0 OD1 A:ASP327 4.0 2.0 1.0 O A:HOH496 4.2 6.4 1.0 CG A:ASP327 4.2 2.0 1.0 ZN A:ZN450 4.2 12.7 1.0 CB A:ASP369 4.3 8.7 1.0 CB A:ASP51 4.3 8.1 1.0 OD2 A:ASP327 4.4 13.7 1.0 O2 A:PO4453 4.5 68.5 0.7 N A:GLY52 4.5 2.0 1.0 NE2 A:HIS412 4.6 16.4 1.0 CA A:ASP51 4.6 4.1 1.0 C A:ASP101 4.7 7.2 1.0 C A:SER102 4.7 7.2 1.0 ZN A:ZN452 4.7 12.2 1.0 ND1 A:HIS412 4.8 10.7 1.0 CB A:ASP327 4.8 6.3 1.0 C A:ASP51 4.8 2.4 1.0 OG A:SER105 5.0 13.8 1.0 O A:ASP101 5.0 9.9 1.0

Zinc binding site 3 out of 6 in the Alkaline Phosphatase (D153H, K328H)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Alkaline Phosphatase (D153H, K328H) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn452 b:12.2 occ:1.00 OD2 A:ASP51 1.8 14.8 1.0 OE2 A:GLU322 1.9 9.6 1.0 NE2 A:HIS153 2.1 15.8 1.0 OG1 A:THR155 2.2 10.2 1.0 CG A:ASP51 2.8 9.3 1.0 CD A:GLU322 2.9 3.7 1.0 CD2 A:HIS153 3.0 4.1 1.0 CE1 A:HIS153 3.2 2.0 1.0 CB A:THR155 3.3 13.6 1.0 OE1 A:GLU322 3.4 7.3 1.0 CB A:ASP51 3.4 8.1 1.0 OD1 A:ASP51 3.9 8.6 1.0 O A:HOH496 4.1 6.4 1.0 CG2 A:THR155 4.1 4.0 1.0 CG A:HIS153 4.2 13.6 1.0 CG A:GLU322 4.2 2.3 1.0 ND1 A:HIS153 4.2 13.8 1.0 N A:THR155 4.4 11.8 1.0 CA A:THR155 4.4 11.2 1.0 CB A:ALA324 4.5 2.0 1.0 CA A:ALA324 4.6 4.9 1.0 ZN A:ZN451 4.7 15.6 1.0 CA A:ASP51 4.7 4.1 1.0 CB A:SER102 4.8 5.9 1.0 O A:ALA324 4.9 17.1 1.0 OG A:SER102 4.9 5.0 1.0

Zinc binding site 4 out of 6 in the Alkaline Phosphatase (D153H, K328H)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Alkaline Phosphatase (D153H, K328H) within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn450 b:24.8 occ:0.93 NE2 B:HIS331 2.0 2.0 1.0 NE2 B:HIS412 2.1 2.0 1.0 OD2 B:ASP327 2.1 27.6 1.0 OD1 B:ASP327 2.4 7.1 1.0 CG B:ASP327 2.6 9.2 1.0 O2 B:PO4453 2.7 79.3 0.7 CE1 B:HIS412 2.8 6.6 1.0 CE1 B:HIS331 3.0 8.9 1.0 CD2 B:HIS331 3.1 8.5 1.0 CD2 B:HIS412 3.2 7.8 1.0 O1 B:PO4453 3.8 80.3 0.7 P B:PO4453 3.8 75.5 0.7 OG B:SER102 3.9 16.9 1.0 NE2 B:HIS372 4.0 10.5 1.0 CB B:ASP327 4.1 6.1 1.0 ND1 B:HIS412 4.1 13.5 1.0 ND1 B:HIS331 4.2 14.6 1.0 CG B:HIS331 4.2 13.7 1.0 CE1 B:HIS370 4.2 4.2 1.0 ZN B:ZN451 4.3 16.6 1.0 NE2 B:HIS370 4.3 4.5 1.0 CG B:HIS412 4.3 8.3 1.0 OD1 B:ASP51 4.7 18.6 1.0 O B:ASP327 4.7 11.9 1.0 O4 B:PO4453 4.7 83.2 0.7 CD2 B:HIS372 4.8 5.9 1.0 O3 B:PO4453 4.8 84.1 0.7 O B:HOH506 4.9 22.9 1.0 C B:ASP327 4.9 15.6 1.0 CE1 B:HIS372 4.9 12.4 1.0 CA B:ASP327 4.9 15.5 1.0

Zinc binding site 5 out of 6 in the Alkaline Phosphatase (D153H, K328H)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Alkaline Phosphatase (D153H, K328H) within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn451 b:16.6 occ:1.00 OD1 B:ASP51 1.9 18.6 1.0 OD2 B:ASP369 2.0 16.1 1.0 NE2 B:HIS370 2.1 4.5 1.0 OG B:SER102 2.2 16.9 1.0 CG B:ASP51 2.8 15.7 1.0 CB B:SER102 2.9 2.0 1.0 CG B:ASP369 3.0 10.8 1.0 CD2 B:HIS370 3.0 2.3 1.0 CE1 B:HIS370 3.0 4.2 1.0 OD2 B:ASP51 3.1 19.5 1.0 OD1 B:ASP369 3.2 8.2 1.0 CA B:SER102 3.4 6.8 1.0 OD1 B:ASP327 3.9 7.1 1.0 O B:HOH526 3.9 6.7 1.0 N B:SER102 4.0 6.7 1.0 CG B:HIS370 4.1 2.0 1.0 ND1 B:HIS370 4.1 5.7 1.0 CE1 B:HIS412 4.1 6.6 1.0 CG B:ASP327 4.1 9.2 1.0 CB B:ASP51 4.2 7.9 1.0 ZN B:ZN450 4.3 24.8 0.9 CB B:ASP369 4.3 7.5 1.0 OD2 B:ASP327 4.5 27.6 1.0 N B:GLY52 4.5 3.3 1.0 NE2 B:HIS412 4.6 2.0 1.0 CA B:ASP51 4.6 3.0 1.0 O2 B:PO4453 4.7 79.3 0.7 CB B:ASP327 4.7 6.1 1.0 C B:ASP51 4.7 3.2 1.0 C B:SER102 4.7 6.9 1.0 ZN B:ZN452 4.8 24.3 1.0 C B:ASP101 4.8 9.7 1.0 ND1 B:HIS412 4.9 13.5 1.0

Zinc binding site 6 out of 6 in the Alkaline Phosphatase (D153H, K328H)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Alkaline Phosphatase (D153H, K328H) within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn452 b:24.3 occ:1.00 OD2 B:ASP51 1.8 19.5 1.0 OE2 B:GLU322 1.9 7.0 1.0 NE2 B:HIS153 1.9 8.3 1.0 OG1 B:THR155 2.4 2.8 1.0 CD2 B:HIS153 2.9 2.0 1.0 CG B:ASP51 2.9 15.7 1.0 CD B:GLU322 3.0 3.4 1.0 CE1 B:HIS153 3.0 6.6 1.0 CB B:THR155 3.4 12.1 1.0 OE1 B:GLU322 3.4 11.3 1.0 CB B:ASP51 3.4 7.9 1.0 OD1 B:ASP51 4.0 18.6 1.0 CG B:HIS153 4.1 3.4 1.0 ND1 B:HIS153 4.1 10.5 1.0 CG B:GLU322 4.2 5.4 1.0 CG2 B:THR155 4.3 11.1 1.0 N B:THR155 4.4 10.5 1.0 CB B:ALA324 4.5 2.0 1.0 O B:HOH526 4.5 6.7 1.0 CA B:THR155 4.5 7.9 1.0 CA B:ALA324 4.6 5.1 1.0 O B:ALA324 4.8 11.7 1.0 ZN B:ZN451 4.8 16.6 1.0 CB B:SER102 4.8 2.0 1.0 CA B:ASP51 4.8 3.0 1.0 OG B:SER102 4.8 16.9 1.0

J.E.Murphy, T.T.Tibbitts, E.R.Kantrowitz. Mutations at Positions 153 and 328 in Escherichia Coli Alkaline Phosphatase Provide Insight Towards the Structure and Function of Mammalian and Yeast Alkaline Phosphatases. J.Mol.Biol. V. 253 604 1995.
ISSN: ISSN 0022-2836
PubMed: 7473737
DOI: 10.1006/JMBI.1995.0576