Chlorine in PDB 1d5l: Crystal Structure of Cyanide-Bound Human Myeloperoxidase Isoform C at pH 5.5

All present enzymatic activity of Crystal Structure of Cyanide-Bound Human Myeloperoxidase Isoform C at pH 5.5:
1.11.1.7;

The structure of Crystal Structure of Cyanide-Bound Human Myeloperoxidase Isoform C at pH 5.5, PDB code: 1d5l was solved by T.J.Fiedler, C.A.Davey, R.E.Fenna, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	111.215, 63.507, 92.337, 90.00, 97.43, 90.00
R / Rfree (%)	17.2 / 21.5

The structure of Crystal Structure of Cyanide-Bound Human Myeloperoxidase Isoform C at pH 5.5 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 Cyanide-Bound Human Myeloperoxidase Isoform C at pH 5.5 (pdb code 1d5l). 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 Cyanide-Bound Human Myeloperoxidase Isoform C at pH 5.5, PDB code: 1d5l:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Cyanide-Bound Human Myeloperoxidase Isoform C at pH 5.5


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 Cyanide-Bound Human Myeloperoxidase Isoform C at pH 5.5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1601 b:8.6 occ:1.00 N A:TRP32 3.2 6.1 1.0 O A:HOH652A 3.2 7.2 1.0 N C:VAL327 3.2 4.9 1.0 CB C:ASN326 3.6 6.2 1.0 CH2 C:TRP436 3.6 6.3 1.0 CA A:ARG31 3.7 8.0 1.0 N C:ASN326 3.7 7.0 1.0 CB C:VAL327 3.8 5.0 1.0 C A:ARG31 3.9 7.3 1.0 CG1 C:VAL327 3.9 4.1 1.0 CA C:ASN326 4.0 5.0 1.0 CZ2 C:TRP436 4.0 2.0 1.0 C C:ASN326 4.0 4.0 1.0 CA C:VAL327 4.1 5.0 1.0 O A:VAL30 4.1 7.2 1.0 N A:LEU33 4.1 5.6 1.0 CA A:TRP32 4.2 6.3 1.0 CB A:TRP32 4.2 7.1 1.0 CD2 C:LEU430 4.3 8.5 1.0 CD A:ARG31 4.3 8.7 1.0 CB A:ARG31 4.4 8.2 1.0 C C:ALA325 4.5 5.9 1.0 O A:LEU33 4.5 4.3 1.0 CB C:ALA325 4.5 4.7 1.0 C A:TRP32 4.7 7.8 1.0 CZ3 C:TRP436 4.7 5.3 1.0 N A:ARG31 4.8 8.3 1.0 CG A:ARG31 4.8 10.2 1.0 CG A:TRP32 4.8 9.1 1.0 CG C:ASN326 4.8 5.2 1.0 C A:VAL30 4.8 6.8 1.0 NH1 A:ARG31 4.9 4.8 1.0 CA C:ALA325 4.9 7.5 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Cyanide-Bound Human Myeloperoxidase Isoform C at pH 5.5


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 Cyanide-Bound Human Myeloperoxidase Isoform C at pH 5.5 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl2601 b:10.9 occ:1.00 N B:TRP32 3.1 7.9 1.0 N D:VAL327 3.3 5.4 1.0 O B:HOH652B 3.4 8.5 1.0 CH2 D:TRP436 3.7 6.8 1.0 CA B:ARG31 3.7 7.7 1.0 N D:ASN326 3.7 5.0 1.0 CB D:ASN326 3.7 7.9 1.0 CB D:VAL327 3.8 5.3 1.0 C B:ARG31 3.9 8.0 1.0 CG1 D:VAL327 4.0 5.0 1.0 CZ2 D:TRP436 4.0 6.7 1.0 O B:VAL30 4.0 8.0 1.0 CA D:ASN326 4.0 5.5 1.0 CA D:VAL327 4.1 6.0 1.0 C D:ASN326 4.1 6.2 1.0 N B:LEU33 4.1 6.9 1.0 CA B:TRP32 4.1 6.8 1.0 CB B:TRP32 4.1 9.6 1.0 CD2 D:LEU430 4.3 7.2 1.0 CB B:ARG31 4.4 8.0 1.0 CB D:ALA325 4.4 4.6 1.0 C D:ALA325 4.4 5.4 1.0 O B:LEU33 4.5 7.7 1.0 CD B:ARG31 4.6 10.6 1.0 C B:TRP32 4.6 7.1 1.0 CG B:ARG31 4.8 10.8 1.0 N B:ARG31 4.8 7.3 1.0 CG B:TRP32 4.8 11.3 1.0 CZ3 D:TRP436 4.8 6.5 1.0 CA D:ALA325 4.8 6.1 1.0 C B:VAL30 4.8 6.4 1.0 NH1 B:ARG31 4.8 9.6 1.0 CG D:ASN326 5.0 5.9 1.0

M.Blair-Johnson, T.Fiedler, R.Fenna. Human Myeloperoxidase: Structure of A Cyanide Complex and Its Interaction with Bromide and Thiocyanate Substrates at 1.9 A Resolution. Biochemistry V. 40 13990 2001.
ISSN: ISSN 0006-2960
PubMed: 11705390
DOI: 10.1021/BI0111808