Zinc in PDB 1hjk: Alkaline Phosphatase Mutant H331Q

All present enzymatic activity of Alkaline Phosphatase Mutant H331Q:
3.1.3.1;

The structure of Alkaline Phosphatase Mutant H331Q, PDB code: 1hjk was solved by J.E.Murphy, B.Stec, L.Ma, E.R.Kantrowitz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 2.30
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	195.520, 167.860, 77.030, 90.00, 90.00, 90.00
R / Rfree (%)	17.7 / 20

The structure of Alkaline Phosphatase Mutant H331Q also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Zinc atom in the Alkaline Phosphatase Mutant H331Q (pdb code 1hjk). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Alkaline Phosphatase Mutant H331Q, PDB code: 1hjk:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Alkaline Phosphatase Mutant H331Q


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Alkaline Phosphatase Mutant H331Q within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn450 b:32.7 occ:1.00 OD2 A:ASP327 1.8 8.1 1.0 O1P A:SEP102 1.9 33.2 1.0 NE2 A:HIS412 2.1 20.7 1.0 CG A:ASP327 2.6 7.1 1.0 O A:HOH667 2.8 3.1 1.0 OD1 A:ASP327 2.8 6.9 1.0 CD2 A:HIS412 2.9 18.9 1.0 CE1 A:HIS412 3.0 17.1 1.0 P A:SEP102 3.3 32.5 1.0 NE2 A:HIS372 3.7 4.9 1.0 O3P A:SEP102 3.7 34.2 1.0 ZN A:ZN451 3.9 11.1 1.0 CG A:HIS412 4.0 15.9 1.0 CE1 A:HIS370 4.0 4.6 1.0 ND1 A:HIS412 4.0 17.4 1.0 CB A:ASP327 4.1 6.8 1.0 O2P A:SEP102 4.1 32.5 1.0 OE1 A:GLN331 4.1 23.9 1.0 OG A:SEP102 4.3 10.0 1.0 NE2 A:HIS370 4.3 9.1 1.0 CD2 A:HIS372 4.5 2.4 1.0 CE1 A:HIS372 4.6 3.9 1.0 O A:ASP327 4.7 2.0 1.0 OD1 A:ASP51 4.8 2.0 1.0 CD A:GLN331 4.8 18.3 1.0 C A:ASP327 4.8 4.6 1.0 CA A:ASP327 4.9 6.3 1.0 O A:HOH624 5.0 2.0 1.0

Zinc binding site 2 out of 4 in the Alkaline Phosphatase Mutant H331Q


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Alkaline Phosphatase Mutant H331Q within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn451 b:11.1 occ:1.00 OG A:SEP102 1.8 10.0 1.0 OD1 A:ASP51 1.9 2.0 1.0 NE2 A:HIS370 2.0 9.1 1.0 OD2 A:ASP369 2.1 5.6 1.0 O1P A:SEP102 2.5 33.2 1.0 P A:SEP102 2.6 32.5 1.0 CE1 A:HIS370 2.7 4.6 1.0 CG A:ASP51 2.9 6.7 1.0 CB A:SEP102 2.9 5.5 1.0 CG A:ASP369 3.0 7.2 1.0 OD2 A:ASP51 3.1 5.2 1.0 CD2 A:HIS370 3.2 2.0 1.0 OD1 A:ASP369 3.2 8.7 1.0 O2P A:SEP102 3.4 32.5 1.0 OD2 A:ASP327 3.5 8.1 1.0 CA A:SEP102 3.7 5.6 1.0 CE1 A:HIS412 3.8 17.1 1.0 CG A:ASP327 3.9 7.1 1.0 ZN A:ZN450 3.9 32.7 1.0 ND1 A:HIS370 3.9 5.3 1.0 O3P A:SEP102 3.9 34.2 1.0 N A:SEP102 4.1 4.2 1.0 CG A:HIS370 4.2 2.0 1.0 CB A:ASP51 4.3 4.9 1.0 NE2 A:HIS412 4.3 20.7 1.0 OD1 A:ASP327 4.4 6.9 1.0 N A:GLY52 4.4 2.0 1.0 CB A:ASP369 4.4 3.1 1.0 CB A:ASP327 4.4 6.8 1.0 ND1 A:HIS412 4.5 17.4 1.0 O A:HOH630 4.8 9.7 1.0 CA A:ASP51 4.8 3.7 1.0 C A:ASP51 4.8 2.0 1.0 C A:ASP101 4.9 4.1 1.0 O A:HOH459 4.9 2.6 1.0 MG A:MG452 5.0 9.1 1.0 C A:SEP102 5.0 9.0 1.0

Zinc binding site 3 out of 4 in the Alkaline Phosphatase Mutant H331Q


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Alkaline Phosphatase Mutant H331Q within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn450 b:29.1 occ:1.00 O1P B:SEP102 2.0 32.0 1.0 OD1 B:ASP327 2.1 10.1 1.0 O B:HOH656 2.2 18.5 1.0 NE2 B:HIS412 2.4 20.7 1.0 CG B:ASP327 2.7 10.8 1.0 OD2 B:ASP327 2.7 12.0 1.0 CE1 B:HIS412 3.1 23.1 1.0 CD2 B:HIS412 3.3 20.0 1.0 P B:SEP102 3.3 30.9 1.0 O B:HOH592 3.4 21.5 1.0 O3P B:SEP102 3.6 32.4 1.0 NE2 B:HIS372 3.7 2.0 1.0 O2P B:SEP102 4.1 32.5 1.0 CB B:ASP327 4.1 2.9 1.0 ND1 B:HIS412 4.1 23.5 1.0 CE1 B:HIS370 4.2 4.8 1.0 CG B:HIS412 4.3 20.6 1.0 OE1 B:GLN331 4.3 22.8 1.0 NE2 B:HIS370 4.3 3.1 1.0 ZN B:ZN451 4.3 14.8 1.0 OG B:SEP102 4.4 13.0 1.0 CE1 B:HIS372 4.4 2.0 1.0 O B:HOH462 4.5 22.3 1.0 CD2 B:HIS372 4.5 2.0 1.0 CD B:GLN331 4.6 18.0 1.0 OD1 B:ASP51 4.7 2.0 1.0 O B:ASP327 4.7 4.5 1.0 C B:ASP327 4.7 7.5 1.0 O B:HOH708 4.8 43.9 1.0 CA B:ASP327 4.9 5.4 1.0

Zinc binding site 4 out of 4 in the Alkaline Phosphatase Mutant H331Q


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Alkaline Phosphatase Mutant H331Q within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn451 b:14.8 occ:1.00 OD1 B:ASP51 1.7 2.0 1.0 OG B:SEP102 1.8 13.0 1.0 NE2 B:HIS370 2.0 3.1 1.0 OD2 B:ASP369 2.0 7.4 1.0 O1P B:SEP102 2.7 32.0 1.0 CB B:SEP102 2.8 11.0 1.0 CG B:ASP51 2.8 8.4 1.0 CE1 B:HIS370 2.8 4.8 1.0 P B:SEP102 2.9 30.9 1.0 CG B:ASP369 2.9 2.0 1.0 CD2 B:HIS370 3.0 2.0 1.0 OD1 B:ASP369 3.1 2.0 1.0 OD2 B:ASP51 3.2 7.9 1.0 CA B:SEP102 3.6 9.3 1.0 O2P B:SEP102 3.6 32.5 1.0 OD1 B:ASP327 3.8 10.1 1.0 ND1 B:HIS370 3.9 2.0 1.0 N B:SEP102 4.0 10.6 1.0 CG B:HIS370 4.0 2.0 1.0 CE1 B:HIS412 4.0 23.1 1.0 CG B:ASP327 4.1 10.8 1.0 O3P B:SEP102 4.1 32.4 1.0 CB B:ASP51 4.2 2.0 1.0 ZN B:ZN450 4.3 29.1 1.0 CB B:ASP369 4.3 3.3 1.0 N B:GLY52 4.4 2.6 1.0 OD2 B:ASP327 4.4 12.0 1.0 ND1 B:HIS412 4.6 23.5 1.0 CB B:ASP327 4.6 2.9 1.0 CA B:ASP51 4.6 3.5 1.0 O B:HOH458 4.7 9.2 1.0 C B:ASP51 4.7 2.0 1.0 NE2 B:HIS412 4.8 20.7 1.0 C B:ASP101 4.9 5.3 1.0 C B:SEP102 5.0 9.8 1.0

J.E.Murphy, B.Stec, L.Ma, E.R.Kantrowitz. Trapping and Visualization of A Covalent Enzyme-Phosphate Intermediate. Nat.Struct.Biol. V. 4 618 1997.
ISSN: ISSN 1072-8368
PubMed: 9253408
DOI: 10.1038/NSB0897-618