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Chlorine 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
Calcium (Ca) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Human Myeloperoxidase Inactivated By TX5 (pdb code 3zs1). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Human Myeloperoxidase Inactivated By TX5, PDB code: 3zs1:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 3zs1

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


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Myeloperoxidase Inactivated By TX5 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1581

b:3.5
occ:1.00
N C:VAL327 3.2 2.0 1.0
N A:TRP32 3.3 3.9 1.0
CH2 C:TRP436 3.5 2.0 1.0
CB C:ASN326 3.5 2.0 1.0
N C:ASN326 3.6 2.0 1.0
CA A:ARG31 3.8 3.6 1.0
CB C:VAL327 3.8 2.0 1.0
CA C:ASN326 3.9 2.0 1.0
CZ2 C:TRP436 4.0 2.0 1.0
CG1 C:VAL327 4.0 2.0 1.0
C C:ASN326 4.0 2.0 1.0
C A:ARG31 4.1 4.0 1.0
CA C:VAL327 4.1 2.0 1.0
N A:LEU33 4.1 3.1 1.0
O A:VAL30 4.1 3.5 1.0
CD2 C:LEU430 4.2 2.0 1.0
CA A:TRP32 4.3 3.5 1.0
CB A:TRP32 4.3 3.1 1.0
CB C:ALA325 4.4 2.0 1.0
C C:ALA325 4.4 2.0 1.0
CB A:ARG31 4.4 3.5 1.0
CD A:ARG31 4.5 2.5 1.0
O A:LEU33 4.5 3.0 1.0
CZ3 C:TRP436 4.5 2.2 1.0
C A:TRP32 4.7 3.6 1.0
CA C:ALA325 4.8 2.0 1.0
CG A:TRP32 4.9 3.4 1.0
N A:ARG31 4.9 3.5 1.0
CG C:ASN326 4.9 2.0 1.0
CG A:ARG31 4.9 3.6 1.0
C A:VAL30 4.9 3.2 1.0

Chlorine binding site 2 out of 2 in 3zs1

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


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Human Myeloperoxidase Inactivated By TX5 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1581

b:12.7
occ:1.00
N B:TRP32 3.1 7.2 1.0
O B:HOH2018 3.4 6.5 1.0
CH2 D:TRP436 3.4 6.0 1.0
N D:VAL327 3.6 4.4 1.0
CA B:ARG31 3.6 6.7 1.0
C B:ARG31 3.8 7.5 1.0
CB D:ASN326 3.8 5.2 1.0
N D:ASN326 3.8 5.2 1.0
CZ2 D:TRP436 3.9 5.8 1.0
CB D:VAL327 3.9 4.1 1.0
N B:LEU33 3.9 5.9 1.0
CG1 D:VAL327 4.0 2.6 1.0
CA B:TRP32 4.1 7.1 1.0
CB B:ARG31 4.2 7.0 1.0
O B:VAL30 4.2 5.6 1.0
CA D:ASN326 4.2 5.2 1.0
CB B:TRP32 4.2 7.7 1.0
CA D:VAL327 4.3 4.1 1.0
O B:LEU33 4.3 6.1 1.0
CG B:ARG31 4.3 7.4 1.0
C D:ASN326 4.3 5.1 1.0
CD2 D:LEU430 4.4 5.5 1.0
CB D:ALA325 4.5 4.4 1.0
CZ3 D:TRP436 4.5 5.6 1.0
C B:TRP32 4.5 6.5 1.0
C D:ALA325 4.6 5.0 1.0
N B:ARG31 4.7 5.9 1.0
CA D:ALA325 4.9 4.5 1.0
CG B:TRP32 4.9 8.8 1.0
C B:VAL30 4.9 5.6 1.0
NH1 B:ARG31 4.9 2.3 1.0
CD B:ARG31 4.9 7.9 1.0
O B:ARG31 5.0 8.2 1.0
CA B:LEU33 5.0 5.8 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 10:22:02 2020

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