Chlorine in PDB 3i6d: Crystal Structure of Ppo From Bacillus Subtilis with Af

All present enzymatic activity of Crystal Structure of Ppo From Bacillus Subtilis with Af:
1.3.3.4;

The structure of Crystal Structure of Ppo From Bacillus Subtilis with Af, PDB code: 3i6d was solved by Y.Shen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.92 / 2.90
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	96.175, 96.175, 299.823, 90.00, 90.00, 90.00
R / Rfree (%)	27.2 / 29.3

The structure of Crystal Structure of Ppo From Bacillus Subtilis with Af also contains other interesting chemical elements:

Fluorine

(F)

6 atoms

The binding sites of Chlorine atom in the Crystal Structure of Ppo From Bacillus Subtilis with Af (pdb code 3i6d). 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 Ppo From Bacillus Subtilis with Af, PDB code: 3i6d:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Ppo From Bacillus Subtilis with Af


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 Ppo From Bacillus Subtilis with Af within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl471 b:0.1 occ:1.00 CL1 A:ACJ471 0.0 0.1 1.0 C4 A:ACJ471 1.7 0.6 1.0 C7 A:ACJ471 2.7 0.4 1.0 C3 A:ACJ471 2.8 0.1 1.0 O1 A:ACJ471 3.0 0.2 1.0 NZ A:LYS71 3.0 79.3 1.0 CB A:LEU68 3.7 79.8 1.0 CD2 A:LEU68 3.7 80.8 1.0 CE A:LYS71 3.9 79.3 1.0 C6 A:ACJ471 4.1 0.2 1.0 C2 A:ACJ471 4.1 0.8 1.0 CG A:LEU68 4.2 80.5 1.0 CD A:LYS71 4.3 80.7 1.0 C8 A:ACJ471 4.4 0.7 1.0 CD1 A:LEU68 4.6 80.0 1.0 C5 A:ACJ471 4.6 0.5 1.0 N A:LEU68 4.7 78.3 1.0 CA A:LEU68 4.8 79.6 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Ppo From Bacillus Subtilis with Af


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 Ppo From Bacillus Subtilis with Af within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl471 b:0.8 occ:1.00 CL1 B:ACJ471 0.0 0.8 1.0 C4 B:ACJ471 1.7 0.4 1.0 C7 B:ACJ471 2.7 0.2 1.0 C3 B:ACJ471 2.8 0.8 1.0 NZ B:LYS71 2.8 79.0 1.0 O1 B:ACJ471 3.0 0.1 1.0 CE B:LYS71 3.9 78.9 1.0 C6 B:ACJ471 4.1 1.0 1.0 CB B:LEU68 4.1 79.1 1.0 C2 B:ACJ471 4.1 0.5 1.0 CD2 B:LEU68 4.2 78.4 1.0 CD B:LYS71 4.2 79.4 1.0 C8 B:ACJ471 4.4 0.4 1.0 C5 B:ACJ471 4.6 0.6 1.0 OD2 B:ASP452 4.7 67.8 1.0 CG B:LEU68 4.7 78.8 1.0 CA B:GLY449 4.8 58.3 1.0

X.Qin, L.Sun, X.Wen, X.Yang, Y.Tan, H.Jin, Q.Cao, W.Zhou, Z.Xi, Y.Shen. Structural Insight Into Unique Properties of Protoporphyrinogen Oxidase From Bacillus Subtilis J.Struct.Biol. V. 170 76 2010.
ISSN: ISSN 1047-8477
PubMed: 19944166
DOI: 10.1016/J.JSB.2009.11.012