Chlorine in PDB 1cxp: Cryogenic Crystal Structure of Human Myeloperoxidase Isoform C

All present enzymatic activity of Cryogenic Crystal Structure of Human Myeloperoxidase Isoform C:
1.11.1.7;

The structure of Cryogenic Crystal Structure of Human Myeloperoxidase Isoform C, PDB code: 1cxp was solved by T.J.Fiedler, R.E.Fenna, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	111.030, 63.380, 92.170, 90.00, 97.36, 90.00
R / Rfree (%)	19.7 / 23.9

The structure of Cryogenic Crystal Structure of Human Myeloperoxidase Isoform C also contains other interesting chemical elements:

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

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

Chlorine binding site 1 out of 2 in the Cryogenic Crystal Structure of Human Myeloperoxidase Isoform C


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Cryogenic Crystal Structure of Human Myeloperoxidase Isoform C within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1601 b:6.8 occ:1.00 O A:HOH652A 3.1 7.4 1.0 N A:TRP32 3.2 5.9 1.0 N C:VAL327 3.2 3.6 1.0 CB C:ASN326 3.5 4.8 1.0 CH2 C:TRP436 3.6 6.5 1.0 N C:ASN326 3.7 3.4 1.0 CA A:ARG31 3.7 7.5 1.0 CB C:VAL327 3.8 4.9 1.0 CG1 C:VAL327 3.9 3.5 1.0 CA C:ASN326 3.9 5.1 1.0 CZ2 C:TRP436 4.0 4.8 1.0 C A:ARG31 4.0 6.7 1.0 O A:VAL30 4.1 5.2 1.0 C C:ASN326 4.1 2.0 1.0 CA C:VAL327 4.1 4.2 1.0 N A:LEU33 4.1 6.3 1.0 CD2 C:LEU430 4.2 6.7 1.0 CD A:ARG31 4.2 7.8 1.0 CA A:TRP32 4.2 5.3 1.0 CB A:TRP32 4.2 7.8 1.0 O A:LEU33 4.4 5.6 1.0 C C:ALA325 4.4 4.7 1.0 CB A:ARG31 4.5 8.1 1.0 CB C:ALA325 4.5 4.0 1.0 C A:TRP32 4.7 6.5 1.0 CZ3 C:TRP436 4.8 4.8 1.0 NH1 A:ARG31 4.8 5.7 1.0 N A:ARG31 4.8 6.3 1.0 CG A:ARG31 4.8 9.8 1.0 CG C:ASN326 4.8 3.9 1.0 C A:VAL30 4.8 5.2 1.0 CG A:TRP32 4.9 8.7 1.0 CA C:ALA325 4.9 6.2 1.0

Chlorine binding site 2 out of 2 in the Cryogenic Crystal Structure of Human Myeloperoxidase Isoform C


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Cryogenic Crystal Structure of Human Myeloperoxidase Isoform C within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1002 b:7.5 occ:1.00 O B:HOH652B 3.2 5.5 1.0 N B:TRP32 3.2 7.5 1.0 N D:VAL327 3.3 4.0 1.0 CH2 D:TRP436 3.6 4.8 1.0 CB D:ASN326 3.7 6.8 1.0 N D:ASN326 3.7 4.8 1.0 CA B:ARG31 3.7 7.8 1.0 CB D:VAL327 3.8 5.2 1.0 CG1 D:VAL327 3.9 6.6 1.0 CZ2 D:TRP436 3.9 4.4 1.0 C B:ARG31 4.0 7.4 1.0 CA D:ASN326 4.0 5.0 1.0 C D:ASN326 4.0 4.2 1.0 O B:VAL30 4.1 9.4 1.0 CA D:VAL327 4.1 4.8 1.0 N B:LEU33 4.1 7.3 1.0 CA B:TRP32 4.2 7.1 1.0 CB B:TRP32 4.2 7.3 1.0 CD2 D:LEU430 4.3 6.2 1.0 CD B:ARG31 4.4 8.8 1.0 CB D:ALA325 4.4 7.8 1.0 O B:LEU33 4.4 7.8 1.0 CB B:ARG31 4.4 8.2 1.0 C D:ALA325 4.5 6.9 1.0 C B:TRP32 4.7 7.7 1.0 NH1 B:ARG31 4.8 6.7 1.0 N B:ARG31 4.8 8.3 1.0 CG B:ARG31 4.8 9.1 1.0 CG B:TRP32 4.8 11.0 1.0 CZ3 D:TRP436 4.8 5.8 1.0 C B:VAL30 4.9 6.8 1.0 CA D:ALA325 4.9 7.3 1.0 CG D:ASN326 4.9 4.8 1.0

T.J.Fiedler, C.A.Davey, R.E.Fenna. X-Ray Crystal Structure and Characterization of Halide-Binding Sites of Human Myeloperoxidase at 1.8 A Resolution. J.Biol.Chem. V. 275 11964 2000.
ISSN: ISSN 0021-9258
PubMed: 10766826
DOI: 10.1074/JBC.275.16.11964