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Calcium in PDB 3zs1: Human Myeloperoxidase Inactivated By TX5

Enzymatic activity of Human Myeloperoxidase Inactivated By TX5

All present enzymatic activity of Human Myeloperoxidase Inactivated By TX5:
1.11.2.2;

Protein crystallography data

The structure of Human Myeloperoxidase Inactivated By TX5, PDB code: 3zs1 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) 110.43 / 2.60
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 93.130, 63.790, 111.350, 90.00, 97.32, 90.00
R / Rfree (%) 18.7 / 24.4

Other elements in 3zs1:

The structure of Human Myeloperoxidase Inactivated By TX5 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 Human Myeloperoxidase Inactivated By TX5 (pdb code 3zs1). 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 TX5, PDB code: 3zs1:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 3zs1

Go back to Calcium Binding Sites List in 3zs1
Calcium binding site 1 out of 2 in the Human Myeloperoxidase Inactivated By TX5


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 TX5 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca1580

b:5.1
occ:1.00
O C:PHE170 2.3 2.0 1.0
O A:ASP96 2.3 2.0 1.0
OG1 C:THR168 2.4 5.0 1.0
OD1 C:ASP172 2.4 2.0 1.0
OG C:SER174 2.4 3.0 1.0
OD1 A:ASP96 2.5 3.0 1.0
O C:THR168 2.5 2.5 1.0
CG C:ASP172 3.4 2.0 1.0
C C:THR168 3.4 2.4 1.0
C A:ASP96 3.4 2.5 1.0
C C:PHE170 3.5 2.0 1.0
CB C:SER174 3.5 2.0 1.0
CG A:ASP96 3.6 3.1 1.0
CB C:THR168 3.6 3.1 1.0
OD2 C:ASP172 3.9 2.8 1.0
N C:PHE170 4.0 2.0 1.0
CA C:THR168 4.0 2.4 1.0
CA A:ASP96 4.1 2.3 1.0
N C:ASP172 4.1 2.0 1.0
C C:SER169 4.2 2.0 1.0
N C:SER174 4.2 2.0 1.0
CA C:PHE170 4.2 2.0 1.0
N C:THR168 4.2 2.0 1.0
CB A:ASP96 4.3 2.7 1.0
N C:SER169 4.4 2.3 1.0
O C:SER169 4.5 2.0 1.0
O A:HOH2042 4.5 2.0 1.0
CA C:SER174 4.5 2.0 1.0
N C:VAL171 4.5 2.0 1.0
N A:LEU97 4.5 2.2 1.0
OD2 A:ASP96 4.6 3.6 1.0
CB C:ASP172 4.6 2.0 1.0
CA C:SER169 4.7 2.0 1.0
CA C:VAL171 4.7 2.0 1.0
CG2 C:THR168 4.7 4.2 1.0
CA C:ASP172 4.7 2.0 1.0
CA A:LEU97 4.8 2.4 1.0
CB C:PHE170 4.8 2.0 1.0
N C:ALA173 4.9 2.0 1.0
C C:VAL171 4.9 2.0 1.0
C C:ASP172 5.0 2.0 1.0

Calcium binding site 2 out of 2 in 3zs1

Go back to Calcium Binding Sites List in 3zs1
Calcium binding site 2 out of 2 in the Human Myeloperoxidase Inactivated By TX5


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 TX5 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca1580

b:7.3
occ:1.00
O B:ASP96 2.2 9.1 1.0
O D:PHE170 2.4 6.9 1.0
O D:THR168 2.5 6.6 1.0
OD1 D:ASP172 2.5 7.6 1.0
OD1 B:ASP96 2.5 14.1 1.0
OG D:SER174 2.6 11.1 1.0
OG1 D:THR168 2.6 6.6 1.0
C B:ASP96 3.3 8.4 1.0
CB D:SER174 3.4 9.8 1.0
C D:THR168 3.5 5.9 1.0
CG B:ASP96 3.5 11.3 1.0
C D:PHE170 3.6 6.9 1.0
CG D:ASP172 3.6 9.2 1.0
CB D:THR168 3.8 4.9 1.0
CA B:ASP96 4.0 8.2 1.0
CA D:THR168 4.1 4.9 1.0
N D:SER174 4.1 9.8 1.0
N D:ASP172 4.1 7.7 1.0
N D:PHE170 4.1 6.6 1.0
OD2 D:ASP172 4.2 11.0 1.0
N D:THR168 4.2 4.1 1.0
C D:SER169 4.3 6.9 1.0
CB B:ASP96 4.3 8.7 1.0
CA D:SER174 4.3 9.8 1.0
OD2 B:ASP96 4.3 14.2 1.0
CA D:PHE170 4.4 6.6 1.0
N B:LEU97 4.4 8.3 1.0
N D:SER169 4.5 5.9 1.0
O D:SER169 4.5 7.2 1.0
N D:VAL171 4.6 6.5 1.0
CA B:LEU97 4.7 8.4 1.0
CB D:ASP172 4.7 8.6 1.0
CG2 D:THR168 4.7 4.1 1.0
CA D:VAL171 4.8 6.6 1.0
CA D:ASP172 4.8 8.3 1.0
CA D:SER169 4.8 6.1 1.0
N D:ALA173 4.9 9.5 1.0
CB D:PHE170 5.0 6.7 1.0
C D:ASP172 5.0 9.1 1.0
C D:VAL171 5.0 7.4 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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