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Calcium in PDB 1mhl: Crystal Structure of Human Myeloperoxidase Isoform C Crystallized in Space Group P2(1) at pH 5.5 and 20 Deg C

Enzymatic activity of Crystal Structure of Human Myeloperoxidase Isoform C Crystallized in Space Group P2(1) at pH 5.5 and 20 Deg C

All present enzymatic activity of Crystal Structure of Human Myeloperoxidase Isoform C Crystallized in Space Group P2(1) at pH 5.5 and 20 Deg C:
1.11.1.7;

Protein crystallography data

The structure of Crystal Structure of Human Myeloperoxidase Isoform C Crystallized in Space Group P2(1) at pH 5.5 and 20 Deg C, PDB code: 1mhl was solved by R.E.Fenna, J.Zeng, C.Davey, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 8.00 / 2.25
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 111.700, 64.600, 94.200, 90.00, 97.90, 90.00
R / Rfree (%) 16 / n/a

Other elements in 1mhl:

The structure of Crystal Structure of Human Myeloperoxidase Isoform C Crystallized in Space Group P2(1) at pH 5.5 and 20 Deg C also contains other interesting chemical elements:

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

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of Human Myeloperoxidase Isoform C Crystallized in Space Group P2(1) at pH 5.5 and 20 Deg C (pdb code 1mhl). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of Human Myeloperoxidase Isoform C Crystallized in Space Group P2(1) at pH 5.5 and 20 Deg C, PDB code: 1mhl:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 1mhl

Go back to Calcium Binding Sites List in 1mhl
Calcium binding site 1 out of 2 in the Crystal Structure of Human Myeloperoxidase Isoform C Crystallized in Space Group P2(1) at pH 5.5 and 20 Deg C


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Human Myeloperoxidase Isoform C Crystallized in Space Group P2(1) at pH 5.5 and 20 Deg C within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca601

b:9.0
occ:1.00
 O A:ASP96 2.1 10.8 1.0
O C:PHE170 2.1 9.3 1.0
OG C:SER174 2.2 14.5 1.0
OD1 A:ASP96 2.3 7.0 1.0
O C:THR168 2.4 3.5 1.0
OG1 C:THR168 2.4 7.8 1.0
OD1 C:ASP172 2.6 10.4 1.0
C A:ASP96 3.2 11.0 1.0
C C:PHE170 3.3 7.9 1.0
CB C:SER174 3.4 9.1 1.0
C C:THR168 3.4 7.7 1.0
CG A:ASP96 3.5 10.9 1.0
CG C:ASP172 3.6 14.1 1.0
CB C:THR168 3.7 5.5 1.0
CA C:THR168 4.0 8.4 1.0
CA A:ASP96 4.0 11.7 1.0
OD2 C:ASP172 4.0 9.0 1.0
N C:PHE170 4.0 10.0 1.0
N C:THR168 4.0 10.6 1.0
CB A:ASP96 4.2 11.2 1.0
C C:SER169 4.2 11.4 1.0
CA C:PHE170 4.2 8.2 1.0
N C:ASP172 4.3 8.1 1.0
N C:SER174 4.3 10.0 1.0
N A:LEU97 4.3 10.5 1.0
N C:SER169 4.4 7.5 1.0
O C:SER169 4.4 12.3 1.0
N C:VAL171 4.4 7.0 1.0
CA C:SER174 4.4 9.9 1.0
OD2 A:ASP96 4.5 10.2 1.0
CA A:LEU97 4.6 9.7 1.0
O A:HOH661 4.7 7.3 1.0
CA C:SER169 4.7 11.1 1.0
CA C:VAL171 4.7 9.8 1.0
CG2 C:THR168 4.8 8.2 1.0
CB C:ASP172 4.8 9.1 1.0
CB C:PHE170 4.8 5.6 1.0
CA C:ASP172 5.0 8.7 1.0

Calcium binding site 2 out of 2 in 1mhl

Go back to Calcium Binding Sites List in 1mhl
Calcium binding site 2 out of 2 in the Crystal Structure of Human Myeloperoxidase Isoform C Crystallized in Space Group P2(1) at pH 5.5 and 20 Deg C


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Human Myeloperoxidase Isoform C Crystallized in Space Group P2(1) at pH 5.5 and 20 Deg C within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca601

b:11.0
occ:1.00
 O B:ASP96 2.1 13.4 1.0
O D:PHE170 2.1 6.7 1.0
OG D:SER174 2.2 13.2 1.0
O D:THR168 2.3 8.9 1.0
OD1 B:ASP96 2.4 9.8 1.0
OD1 D:ASP172 2.5 17.4 1.0
OG1 D:THR168 2.5 6.9 1.0
C B:ASP96 3.2 10.6 1.0
C D:PHE170 3.3 8.1 1.0
C D:THR168 3.4 12.7 1.0
CB D:SER174 3.5 7.5 1.0
CG D:ASP172 3.5 21.5 1.0
CG B:ASP96 3.5 14.5 1.0
CB D:THR168 3.8 7.7 1.0
OD2 D:ASP172 4.0 20.6 1.0
CA B:ASP96 4.0 9.7 1.0
N D:PHE170 4.0 11.2 1.0
CA D:THR168 4.0 10.8 1.0
N D:THR168 4.1 11.4 1.0
C D:SER169 4.2 12.0 1.0
N D:ASP172 4.2 15.2 1.0
CB B:ASP96 4.3 8.0 1.0
CA D:PHE170 4.3 7.0 1.0
N B:LEU97 4.3 9.6 1.0
N D:SER174 4.4 11.7 1.0
O D:SER169 4.4 11.3 1.0
N D:VAL171 4.4 7.7 1.0
N D:SER169 4.4 12.6 1.0
O B:HOH665 4.5 13.9 1.0
OD2 B:ASP96 4.5 7.4 1.0
CA D:SER174 4.5 10.6 1.0
CA B:LEU97 4.5 10.8 1.0
CA D:SER169 4.7 12.3 1.0
CA D:VAL171 4.7 12.6 1.0
CB D:ASP172 4.7 16.7 1.0
CG2 D:THR168 4.8 11.0 1.0
CB D:PHE170 4.9 10.0 1.0
CA D:ASP172 4.9 15.8 1.0
CD2 B:LEU97 4.9 11.5 1.0
C D:VAL171 5.0 12.6 1.0

Reference:

R.Fenna, J.Zeng, C.Davey. Structure of the Green Heme in Myeloperoxidase. Arch.Biochem.Biophys. V. 316 653 1995.
ISSN: ISSN 0003-9861
PubMed: 7840679
DOI: 10.1006/ABBI.1995.1086
Page generated: Thu Jul 11 12:31:11 2024

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