Calcium in PDB 1cxp: Cryogenic Crystal Structure of Human Myeloperoxidase Isoform C

All present enzymatic activity of Cryogenic Crystal Structure of Human Myeloperoxidase Isoform C:
1.11.1.7;

The structure of Cryogenic Crystal Structure of Human Myeloperoxidase Isoform C, PDB code: 1cxp was solved by T.J.Fiedler, R.E.Fenna, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	111.030, 63.380, 92.170, 90.00, 97.36, 90.00
R / Rfree (%)	19.7 / 23.9

The structure of Cryogenic Crystal Structure of Human Myeloperoxidase Isoform C also contains other interesting chemical elements:

Iron	(Fe)	2 atoms
Chlorine	(Cl)	2 atoms

The binding sites of Calcium atom in the Cryogenic Crystal Structure of Human Myeloperoxidase Isoform C (pdb code 1cxp). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Cryogenic Crystal Structure of Human Myeloperoxidase Isoform C, PDB code: 1cxp:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Cryogenic Crystal Structure of Human Myeloperoxidase Isoform C


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Cryogenic Crystal Structure of Human Myeloperoxidase Isoform C within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca1600 b:8.1 occ:1.00 O C:PHE170 2.3 5.5 1.0 O A:ASP96 2.4 6.5 1.0 OD2 A:ASP96 2.4 4.4 1.0 OD1 C:ASP172 2.4 3.9 1.0 O C:THR168 2.5 6.7 1.0 OG C:SER174 2.5 4.6 1.0 OG1 C:THR168 2.6 2.6 1.0 CB C:SER174 3.4 5.3 1.0 C C:THR168 3.4 5.2 1.0 C A:ASP96 3.4 5.7 1.0 CG C:ASP172 3.4 5.3 1.0 C C:PHE170 3.5 5.4 1.0 CG A:ASP96 3.6 6.5 1.0 CB C:THR168 3.8 3.0 1.0 OD2 C:ASP172 3.9 3.7 1.0 N C:PHE170 4.0 4.3 1.0 CA C:THR168 4.0 5.7 1.0 CA A:ASP96 4.1 5.0 1.0 N C:SER174 4.1 7.0 1.0 N C:ASP172 4.1 6.3 1.0 C C:SER169 4.1 6.8 1.0 N C:THR168 4.2 5.4 1.0 CB A:ASP96 4.3 6.0 1.0 CA C:PHE170 4.3 5.9 1.0 CA C:SER174 4.3 6.2 1.0 N C:SER169 4.4 6.6 1.0 O C:SER169 4.4 5.2 1.0 N A:LEU97 4.5 4.9 1.0 OD1 A:ASP96 4.5 6.2 1.0 O C:HOH690A 4.5 4.7 1.0 N C:VAL171 4.6 4.8 1.0 CB C:ASP172 4.6 5.2 1.0 CA C:SER169 4.7 7.3 1.0 CA A:LEU97 4.7 7.0 1.0 CA C:VAL171 4.8 5.9 1.0 CA C:ASP172 4.8 5.0 1.0 CG2 C:THR168 4.8 5.1 1.0 CB C:PHE170 4.9 6.3 1.0 N C:ALA173 4.9 5.6 1.0 C C:VAL171 5.0 6.8 1.0

Calcium binding site 2 out of 2 in the Cryogenic Crystal Structure of Human Myeloperoxidase Isoform C


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Cryogenic Crystal Structure of Human Myeloperoxidase Isoform C within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca1001 b:7.7 occ:1.00 O B:ASP96 2.3 5.5 1.0 OG D:SER174 2.4 10.1 1.0 O D:THR168 2.4 6.9 1.0 O D:PHE170 2.4 5.2 1.0 OD2 B:ASP96 2.4 7.7 1.0 OG1 D:THR168 2.5 7.6 1.0 OD1 D:ASP172 2.5 7.9 1.0 C D:THR168 3.3 6.5 1.0 CB D:SER174 3.3 9.7 1.0 C B:ASP96 3.4 7.4 1.0 CG D:ASP172 3.5 11.2 1.0 CG B:ASP96 3.6 7.7 1.0 C D:PHE170 3.6 5.4 1.0 CB D:THR168 3.7 5.9 1.0 OD2 D:ASP172 3.9 11.7 1.0 CA D:THR168 4.0 7.5 1.0 N D:PHE170 4.0 7.3 1.0 CA B:ASP96 4.1 6.5 1.0 N D:SER174 4.1 9.0 1.0 C D:SER169 4.1 7.5 1.0 N D:ASP172 4.2 9.2 1.0 N D:THR168 4.2 7.5 1.0 CB B:ASP96 4.3 7.5 1.0 N D:SER169 4.3 8.4 1.0 CA D:PHE170 4.3 6.5 1.0 CA D:SER174 4.3 9.0 1.0 N B:LEU97 4.5 6.1 1.0 OD1 B:ASP96 4.5 6.9 1.0 O D:SER169 4.5 6.8 1.0 O D:HOH690B 4.5 5.0 1.0 CA D:SER169 4.6 7.7 1.0 N D:VAL171 4.7 5.4 1.0 CB D:ASP172 4.7 10.3 1.0 CA B:LEU97 4.7 7.3 1.0 CG2 D:THR168 4.7 6.5 1.0 CA D:VAL171 4.8 7.7 1.0 CA D:ASP172 4.9 10.3 1.0 CB D:PHE170 4.9 7.9 1.0 N D:ALA173 5.0 9.0 1.0

T.J.Fiedler, C.A.Davey, R.E.Fenna. X-Ray Crystal Structure and Characterization of Halide-Binding Sites of Human Myeloperoxidase at 1.8 A Resolution. J.Biol.Chem. V. 275 11964 2000.
ISSN: ISSN 0021-9258
PubMed: 10766826
DOI: 10.1074/JBC.275.16.11964