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Calcium in PDB 3zs0: Human Myeloperoxidase Inactivated By TX2

Enzymatic activity of Human Myeloperoxidase Inactivated By TX2

All present enzymatic activity of Human Myeloperoxidase Inactivated By TX2:
1.11.2.2;

Protein crystallography data

The structure of Human Myeloperoxidase Inactivated By TX2, PDB code: 3zs0 was solved by A.K.Tiden, T.Sjogren, M.Svensson, A.Bernlind, R.Senthilmohan, F.Auchere, H.Norman, P.O.Markgren, S.Gustavsson, S.Schmidt, S.Lundquist, L.V.Forbes, N.J.Magon, G.N.Jameson, H.Eriksson, A.J.Kettle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 2.30
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 93.905, 64.111, 111.452, 90.00, 97.12, 90.00
R / Rfree (%) 17 / 20.7

Other elements in 3zs0:

The structure of Human Myeloperoxidase Inactivated By TX2 also contains other interesting chemical elements:

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

Calcium Binding Sites:

The binding sites of Calcium atom in the Human Myeloperoxidase Inactivated By TX2 (pdb code 3zs0). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Human Myeloperoxidase Inactivated By TX2, PDB code: 3zs0:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 3zs0

Go back to Calcium Binding Sites List in 3zs0
Calcium binding site 1 out of 2 in the Human Myeloperoxidase Inactivated By TX2


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Human Myeloperoxidase Inactivated By TX2 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca1591

b:11.1
occ:1.00
O A:ASP96 2.3 10.9 1.0
OG1 C:THR168 2.3 11.2 1.0
O C:THR168 2.3 10.3 1.0
O C:PHE170 2.3 10.2 1.0
OD1 C:ASP172 2.3 10.5 1.0
OD1 A:ASP96 2.4 12.0 1.0
OG C:SER174 2.5 11.3 1.0
C C:THR168 3.3 10.3 1.0
CG C:ASP172 3.3 11.5 1.0
CB C:SER174 3.4 11.2 1.0
C A:ASP96 3.4 10.8 1.0
C C:PHE170 3.5 9.8 1.0
CB C:THR168 3.6 9.9 1.0
CG A:ASP96 3.6 12.1 1.0
OD2 C:ASP172 3.7 13.8 1.0
CA C:THR168 3.9 10.1 1.0
N C:PHE170 3.9 9.5 1.0
C C:SER169 4.1 10.2 1.0
N C:THR168 4.1 9.8 1.0
N C:ASP172 4.1 10.0 1.0
CA A:ASP96 4.2 10.8 1.0
N C:SER174 4.2 11.0 1.0
N C:SER169 4.2 10.5 1.0
CA C:PHE170 4.3 9.6 1.0
CA C:SER174 4.4 11.0 1.0
CB A:ASP96 4.4 10.7 1.0
O C:SER169 4.4 10.1 1.0
N A:LEU97 4.5 10.5 1.0
OD2 A:ASP96 4.5 12.3 1.0
CA C:SER169 4.6 10.8 1.0
CB C:ASP172 4.6 10.4 1.0
N C:VAL171 4.6 9.2 1.0
O A:HOH2091 4.6 8.3 1.0
CA A:LEU97 4.7 10.6 1.0
CG2 C:THR168 4.7 10.1 1.0
CA C:ASP172 4.8 10.4 1.0
CA C:VAL171 4.8 9.3 1.0
CB C:PHE170 4.9 9.2 1.0

Calcium binding site 2 out of 2 in 3zs0

Go back to Calcium Binding Sites List in 3zs0
Calcium binding site 2 out of 2 in the Human Myeloperoxidase Inactivated By TX2


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Human Myeloperoxidase Inactivated By TX2 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca1594

b:14.2
occ:1.00
O B:ASP96 2.3 14.7 1.0
O D:PHE170 2.3 14.2 1.0
OD1 D:ASP172 2.3 15.1 1.0
O D:THR168 2.3 14.0 1.0
OG1 D:THR168 2.5 14.2 1.0
OD1 B:ASP96 2.5 18.1 1.0
OG D:SER174 2.6 16.5 1.0
C D:THR168 3.3 13.6 1.0
CG D:ASP172 3.4 17.5 1.0
C B:ASP96 3.5 14.1 1.0
C D:PHE170 3.5 14.4 1.0
CB D:SER174 3.6 16.8 1.0
CB D:THR168 3.7 13.1 1.0
CG B:ASP96 3.7 16.6 1.0
N D:PHE170 3.9 14.2 1.0
OD2 D:ASP172 3.9 18.7 1.0
CA D:THR168 3.9 13.2 1.0
C D:SER169 4.0 14.4 1.0
CA D:PHE170 4.2 14.2 1.0
N D:ASP172 4.2 16.0 1.0
N D:THR168 4.2 12.4 1.0
CA B:ASP96 4.2 14.1 1.0
N D:SER169 4.2 14.0 1.0
N D:SER174 4.3 17.2 1.0
O D:SER169 4.4 14.9 1.0
CB B:ASP96 4.5 14.0 1.0
N B:LEU97 4.5 14.4 1.0
CA D:SER169 4.5 14.1 1.0
CA D:SER174 4.5 17.0 1.0
N D:VAL171 4.6 14.6 1.0
OD2 B:ASP96 4.6 19.3 1.0
CB D:ASP172 4.7 16.4 1.0
CA B:LEU97 4.7 14.7 1.0
O B:HOH2080 4.7 16.1 1.0
CA D:VAL171 4.8 15.2 1.0
CG2 D:THR168 4.8 12.7 1.0
CB D:PHE170 4.8 14.7 1.0
CA D:ASP172 4.9 16.7 1.0

Reference:

A.K.Tiden, T.Sjogren, M.Svensson, A.Bernlind, R.Senthilmohan, F.Auchere, H.Norman, P.O.Markgren, S.Gustavsson, S.Schmidt, S.Lundquist, L.V.Forbes, N.J.Magon, L.N.Paton, G.N.Jameson, H.Eriksson, A.J.Kettle. 2-Thioxanthines Are Mechanism-Based Inactivators of Myeloperoxidase That Block Oxidative Stress During Inflammation. J.Biol.Chem. V. 286 37578 2011.
ISSN: ISSN 0021-9258
PubMed: 21880720
DOI: 10.1074/JBC.M111.266981
Page generated: Sat Dec 12 04:37:36 2020

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