Chlorine in PDB 1pyz: Crystallographic Structure of Mimochrome IV

The structure of Crystallographic Structure of Mimochrome IV, PDB code: 1pyz was solved by L.Di Costanzo, S.Geremia, L.Randaccio, F.Nastri, O.Maglio, A.Lombardi, V.Pavone, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	16.40 / 1.25
Space group	P 64 2 2
Cell size a, b, c (Å), α, β, γ (°)	65.536, 65.536, 23.529, 90.00, 90.00, 120.00
R / Rfree (%)	18.5 / 18.8

The structure of Crystallographic Structure of Mimochrome IV also contains other interesting chemical elements:

Cobalt

(Co)

1 atom

The binding sites of Chlorine atom in the Crystallographic Structure of Mimochrome IV (pdb code 1pyz). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystallographic Structure of Mimochrome IV, PDB code: 1pyz:

Chlorine binding site 1 out of 1 in the Crystallographic Structure of Mimochrome IV


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystallographic Structure of Mimochrome IV within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl68 b:11.4 occ:0.50 HZ1 B:LYS8 2.4 13.9 1.0 HZ1 A:LYS8 2.4 13.1 1.0 HAA1 A:DEU101 2.8 14.1 1.0 HAD2 A:DEU101 2.9 13.7 1.0 HD2 A:LYS8 3.2 15.5 1.0 HHA A:DEU101 3.2 12.8 1.0 NZ B:LYS8 3.2 11.6 1.0 HD2 B:LYS8 3.2 14.9 1.0 NZ A:LYS8 3.3 10.9 1.0 HD3 A:LYS8 3.6 15.5 1.0 HBA2 A:DEU101 3.7 14.1 1.0 CAA A:DEU101 3.7 11.8 1.0 CAD A:DEU101 3.8 11.4 1.0 CD A:LYS8 3.8 12.9 1.0 HBD2 A:DEU101 3.8 13.2 1.0 CD B:LYS8 3.9 12.4 1.0 HD3 B:LYS8 3.9 14.9 1.0 CBA A:DEU101 4.0 11.7 1.0 CE B:LYS8 4.1 12.0 1.0 HAA2 A:DEU101 4.1 14.1 1.0 CE A:LYS8 4.1 11.7 1.0 CBD A:DEU101 4.1 11.0 1.0 CHA A:DEU101 4.1 10.6 1.0 HAD1 A:DEU101 4.2 13.7 1.0 CGD A:DEU101 4.2 12.4 1.0 CGA A:DEU101 4.2 12.7 1.0 HE3 B:LYS8 4.3 14.4 1.0 HE3 A:LYS8 4.5 14.0 1.0 C2A A:DEU101 4.8 11.9 1.0 C3D A:DEU101 4.8 11.7 1.0 C1A A:DEU101 4.9 11.4 1.0 HE2 A:LYS8 4.9 14.0 1.0 C4D A:DEU101 4.9 11.6 1.0 HE2 B:LYS8 4.9 14.4 1.0 HBA1 A:DEU101 5.0 14.1 1.0

L.Di Costanzo, S.Geremia, L.Randaccio, F.Nastri, O.Maglio, A.Lombardi, V.Pavone. Miniaturized Heme Proteins: Crystal Structure of Co(III)-Mimochrome IV. J.Biol.Inorg.Chem. V. 9 1017 2004.
ISSN: ISSN 0949-8257
PubMed: 15551102
DOI: 10.1007/S00775-004-0600-X