Chlorine in PDB 3f9p: Crystal Structure of Myeloperoxidase From Human Leukocytes

All present enzymatic activity of Crystal Structure of Myeloperoxidase From Human Leukocytes:
1.11.1.7;

The structure of Crystal Structure of Myeloperoxidase From Human Leukocytes, PDB code: 3f9p was solved by X.Carpena, I.Fita, C.Obinger, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.93
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	110.740, 110.740, 255.333, 90.00, 90.00, 90.00
R / Rfree (%)	23.6 / 25.7

The structure of Crystal Structure of Myeloperoxidase From Human Leukocytes also contains other interesting chemical elements:

Iron	(Fe)	2 atoms
Calcium	(Ca)	2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Myeloperoxidase From Human Leukocytes (pdb code 3f9p). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Myeloperoxidase From Human Leukocytes, PDB code: 3f9p:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Myeloperoxidase From Human Leukocytes


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Myeloperoxidase From Human Leukocytes within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl602 b:48.3 occ:1.00 N A:TRP32 3.2 66.1 1.0 N C:VAL327 3.4 67.2 1.0 CH2 C:TRP436 3.5 67.2 1.0 CB C:ASN326 3.6 67.0 1.0 CA A:ARG31 3.7 66.1 1.0 N C:ASN326 3.7 67.0 1.0 CB C:VAL327 3.9 67.3 1.0 CG1 C:VAL327 3.9 67.2 1.0 C A:ARG31 4.0 66.1 1.0 CA C:ASN326 4.0 67.1 1.0 CZ2 C:TRP436 4.0 67.1 1.0 O A:VAL30 4.0 66.0 1.0 C C:ASN326 4.1 67.2 1.0 CD A:ARG31 4.1 66.4 1.0 N A:LEU33 4.2 65.9 1.0 CA C:VAL327 4.2 67.3 1.0 CA A:TRP32 4.2 66.1 1.0 CD2 C:LEU430 4.3 66.3 1.0 CB A:TRP32 4.3 66.1 1.0 CB A:ARG31 4.3 66.1 1.0 C C:ALA325 4.6 66.9 1.0 CB C:ALA325 4.6 66.9 1.0 O A:LEU33 4.6 65.9 1.0 CZ3 C:TRP436 4.6 67.2 1.0 CG A:ARG31 4.7 66.3 1.0 N A:ARG31 4.7 66.0 1.0 C A:TRP32 4.7 66.0 1.0 C A:VAL30 4.8 66.0 1.0 CG A:TRP32 4.9 66.2 1.0 CA C:ALA325 4.9 66.9 1.0 CG C:ASN326 4.9 67.0 1.0 NH1 A:ARG31 5.0 66.3 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Myeloperoxidase From Human Leukocytes


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Myeloperoxidase From Human Leukocytes within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl602 b:53.2 occ:1.00 N B:TRP32 3.3 66.0 1.0 N D:VAL327 3.3 67.1 1.0 CH2 D:TRP436 3.5 66.8 1.0 N D:ASN326 3.7 66.9 1.0 CB D:VAL327 3.7 67.2 1.0 CG1 D:VAL327 3.8 67.2 1.0 CB D:ASN326 3.8 66.9 1.0 CA B:ARG31 3.8 66.0 1.0 CZ2 D:TRP436 4.0 66.6 1.0 C B:ARG31 4.0 66.0 1.0 CA D:ASN326 4.0 67.0 1.0 O B:VAL30 4.0 66.0 1.0 CA D:VAL327 4.1 67.2 1.0 C D:ASN326 4.1 67.1 1.0 N B:LEU33 4.2 65.8 1.0 CD2 D:LEU430 4.2 66.3 1.0 CA B:TRP32 4.2 65.9 1.0 CB B:TRP32 4.3 65.8 1.0 CD B:ARG31 4.3 66.4 1.0 CB D:ALA325 4.3 66.8 1.0 CB B:ARG31 4.5 66.1 1.0 C D:ALA325 4.5 66.9 1.0 CZ3 D:TRP436 4.5 66.7 1.0 O B:LEU33 4.7 66.0 1.0 C B:TRP32 4.7 65.9 1.0 CG B:TRP32 4.8 65.7 1.0 CA D:ALA325 4.8 66.9 1.0 N B:ARG31 4.8 66.0 1.0 C B:VAL30 4.9 66.0 1.0 CG B:ARG31 4.9 66.2 1.0

X.Carpena, P.Vidossich, K.Schroettner, B.M.Calisto, S.Banerjee, J.Stampler, M.Soudi, P.G.Furtmuller, C.Rovira, I.Fita, C.Obinger. Essential Role of Proximal Histidine-Asparagine Interaction in Mammalian Peroxidases. J.Biol.Chem. V. 284 25929 2009.
ISSN: ISSN 0021-9258
PubMed: 19608745
DOI: 10.1074/JBC.M109.002154