Calcium in PDB 1sch: Peanut Peroxidase

All present enzymatic activity of Peanut Peroxidase:
1.11.1.7;

The structure of Peanut Peroxidase, PDB code: 1sch was solved by D.J.Schuller, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 2.56
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	48.100, 97.200, 146.200, 90.00, 90.00, 90.00
R / Rfree (%)	19.9 / 26.2

The structure of Peanut Peroxidase also contains other interesting chemical elements:

Iron

(Fe)

2 atoms

The binding sites of Calcium atom in the Peanut Peroxidase (pdb code 1sch). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Peanut Peroxidase, PDB code: 1sch:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Peanut Peroxidase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Peanut Peroxidase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:2.0 occ:1.00 O A:LYS220 2.2 65.8 1.0 O A:THR170 2.3 2.0 1.0 O A:THR217 2.3 2.0 1.0 OG1 A:THR170 2.4 2.0 1.0 OG1 A:THR217 2.4 2.0 1.0 OD2 A:ASP214 2.5 5.8 1.0 OD1 A:ASP222 2.6 16.5 1.0 C A:THR170 3.3 2.0 1.0 C A:THR217 3.4 2.0 1.0 C A:LYS220 3.5 2.0 1.0 CB A:THR170 3.5 2.0 1.0 CB A:THR217 3.5 2.0 1.0 CG A:ASP214 3.6 5.8 1.0 CG A:ASP222 3.6 16.5 1.0 CA A:THR170 3.8 2.0 1.0 CA A:THR217 4.0 2.0 1.0 CB A:ASP214 4.0 5.8 1.0 OD2 A:ASP222 4.0 16.5 1.0 N A:ASP222 4.0 9.3 1.0 CG2 A:THR170 4.0 2.0 1.0 N A:LYS220 4.2 2.0 1.0 CA A:LYS220 4.3 2.0 1.0 N A:ILE171 4.4 8.4 1.0 N A:THR217 4.4 2.0 1.0 N A:PHE221 4.4 2.0 1.0 N A:PRO218 4.5 4.8 1.0 CB A:ALA224 4.5 2.0 1.0 O A:ASP222 4.5 16.5 1.0 CG2 A:ILE171 4.5 2.0 1.0 CA A:PHE221 4.6 2.0 1.0 CB A:LYS220 4.6 65.8 1.0 OD1 A:ASP214 4.6 5.8 1.0 C A:PHE221 4.7 2.0 1.0 CB A:ASP222 4.7 16.5 1.0 CA A:ASP222 4.8 9.3 1.0 CG2 A:THR217 4.8 2.0 1.0 C A:PRO218 4.9 4.8 1.0 CA A:PRO218 4.9 4.8 1.0 CA A:ILE171 4.9 8.4 1.0 C A:ASP222 4.9 9.3 1.0

Calcium binding site 2 out of 4 in the Peanut Peroxidase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Peanut Peroxidase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:7.5 occ:1.00 O A:ASP43 2.3 19.0 1.0 O A:VAL46 2.3 2.0 1.0 O A:HOH428 2.3 7.7 1.0 O A:GLY48 2.4 6.4 1.0 OG A:SER52 2.5 11.7 1.0 OD1 A:ASP50 2.5 4.5 1.0 OD1 A:ASP43 2.9 19.0 1.0 C A:ASP43 3.4 30.1 1.0 C A:VAL46 3.5 2.0 1.0 C A:GLY48 3.6 2.0 1.0 CG A:ASP50 3.6 4.5 1.0 CB A:SER52 3.8 11.7 1.0 CG A:ASP43 3.9 19.0 1.0 CA A:ASP43 3.9 30.1 1.0 O A:GLN47 3.9 11.1 1.0 N A:ASP50 4.0 2.0 1.0 N A:SER52 4.0 2.0 1.0 C A:GLN47 4.1 2.0 1.0 OD2 A:ASP50 4.2 4.5 1.0 CG A:GLN47 4.2 11.1 1.0 N A:GLY48 4.3 2.0 1.0 CA A:VAL46 4.4 2.0 1.0 CA A:SER52 4.4 2.0 1.0 CB A:VAL46 4.4 2.0 1.0 CA A:GLY48 4.5 2.0 1.0 N A:CYS44 4.5 2.0 1.0 N A:GLN47 4.5 2.0 1.0 CB A:ASP43 4.5 19.0 1.0 N A:VAL46 4.5 2.0 1.0 N A:CYS49 4.6 2.0 1.0 N A:ALA51 4.6 6.5 1.0 N A:VAL53 4.7 6.7 1.0 OE2 A:GLU64 4.7 6.0 1.0 CA A:GLN47 4.7 2.0 1.0 CA A:CYS49 4.7 2.0 1.0 CA A:ASP50 4.7 2.0 1.0 OD2 A:ASP43 4.7 19.0 1.0 CB A:ASP50 4.8 4.5 1.0 O A:HIS42 4.8 2.0 1.0 OE1 A:GLU64 4.8 6.0 1.0 C A:ASP50 4.8 2.0 1.0 CA A:CYS44 4.9 2.0 1.0 C A:CYS49 4.9 2.0 1.0

Calcium binding site 3 out of 4 in the Peanut Peroxidase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Peanut Peroxidase within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca301 b:11.7 occ:1.00 O B:THR170 2.3 3.9 1.0 O B:LYS220 2.3 84.5 1.0 O B:THR217 2.3 25.0 1.0 OG1 B:THR217 2.3 25.0 1.0 OG1 B:THR170 2.5 3.9 1.0 OD2 B:ASP214 2.5 6.4 1.0 OD1 B:ASP222 2.6 9.1 1.0 C B:THR170 3.3 2.0 1.0 CG B:ASP214 3.3 6.4 1.0 CB B:THR217 3.4 25.0 1.0 C B:THR217 3.4 15.9 1.0 C B:LYS220 3.5 27.7 1.0 CB B:THR170 3.6 3.9 1.0 CG B:ASP222 3.6 9.1 1.0 CB B:ASP214 3.8 6.4 1.0 CA B:THR170 3.8 2.0 1.0 CA B:THR217 4.0 15.9 1.0 OD2 B:ASP222 4.0 9.1 1.0 N B:LYS220 4.1 27.7 1.0 N B:ASP222 4.2 2.0 1.0 CA B:LYS220 4.3 27.7 1.0 OD1 B:ASP214 4.3 6.4 1.0 CG2 B:THR170 4.3 3.9 1.0 N B:ILE171 4.4 2.0 1.0 N B:THR217 4.5 15.9 1.0 CB B:ALA224 4.5 2.0 1.0 CG2 B:ILE171 4.5 10.5 1.0 N B:PHE221 4.5 4.7 1.0 N B:PRO218 4.6 27.7 1.0 CB B:LYS220 4.6 84.5 1.0 O B:ASP222 4.7 9.1 1.0 CG2 B:THR217 4.7 25.0 1.0 CA B:PHE221 4.7 4.7 1.0 C B:PRO218 4.8 27.7 1.0 O B:PRO218 4.8 12.3 1.0 CB B:ASP222 4.9 9.1 1.0 CA B:ILE171 4.9 2.0 1.0 C B:PHE221 4.9 4.7 1.0 CA B:ASP222 4.9 2.0 1.0 CA B:PRO218 5.0 27.7 1.0

Calcium binding site 4 out of 4 in the Peanut Peroxidase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Peanut Peroxidase within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca302 b:2.0 occ:1.00 O B:VAL46 2.3 2.0 1.0 O B:ASP43 2.3 2.0 1.0 O B:GLY48 2.4 17.4 1.0 O B:HOH458 2.4 39.5 1.0 OG B:SER52 2.4 2.0 1.0 OD1 B:ASP50 2.6 2.0 1.0 OD1 B:ASP43 2.9 2.0 1.0 C B:ASP43 3.4 15.5 1.0 C B:VAL46 3.5 6.9 1.0 C B:GLY48 3.6 2.0 1.0 CB B:SER52 3.7 2.0 1.0 CG B:ASP50 3.8 2.0 1.0 O B:GLN47 3.8 14.1 1.0 CA B:ASP43 3.9 15.5 1.0 C B:GLN47 4.0 3.7 1.0 CG B:ASP43 4.0 2.0 1.0 N B:ASP50 4.1 5.8 1.0 N B:SER52 4.2 2.0 1.0 CG B:GLN47 4.2 14.1 1.0 N B:GLY48 4.3 2.0 1.0 CA B:VAL46 4.3 6.9 1.0 OE2 B:GLU64 4.3 2.0 1.0 CB B:VAL46 4.3 2.0 1.0 OD2 B:ASP50 4.3 2.0 1.0 N B:VAL46 4.4 6.9 1.0 N B:GLN47 4.4 3.7 1.0 CA B:GLY48 4.5 2.0 1.0 CA B:SER52 4.5 2.0 1.0 N B:CYS44 4.5 2.0 1.0 N B:CYS49 4.6 8.9 1.0 CB B:ASP43 4.6 2.0 1.0 CA B:GLN47 4.6 3.7 1.0 OE1 B:GLU64 4.7 2.0 1.0 CA B:CYS49 4.7 8.9 1.0 N B:ALA51 4.8 4.2 1.0 O B:HIS42 4.8 10.9 1.0 N B:VAL53 4.8 2.0 1.0 CA B:ASP50 4.9 5.8 1.0 CB B:ASP50 4.9 2.0 1.0 CA B:CYS44 4.9 2.0 1.0 C B:CYS49 4.9 8.9 1.0 CG1 B:VAL46 4.9 2.0 1.0 CD B:GLU64 4.9 2.0 1.0 OD2 B:ASP43 5.0 2.0 1.0 CB B:GLN47 5.0 14.1 1.0 C B:ASP50 5.0 5.8 1.0

D.J.Schuller, N.Ban, R.B.Huystee, A.Mcpherson, T.L.Poulos. The Crystal Structure of Peanut Peroxidase. Structure V. 4 311 1996.
ISSN: ISSN 0969-2126
PubMed: 8805539
DOI: 10.1016/S0969-2126(96)00035-4