Chlorine in PDB 3ilf: Crystal Structure of Porphyranase A (Pora) in Complex with Neo- Porphyrotetraose

The structure of Crystal Structure of Porphyranase A (Pora) in Complex with Neo- Porphyrotetraose, PDB code: 3ilf was solved by J.H.Hehemann, G.Correc, T.Barbeyron, W.Helbert, G.Michel, M.Czjzek, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.34 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	62.090, 68.378, 71.268, 90.00, 90.00, 90.00
R / Rfree (%)	15.7 / 20.5

The structure of Crystal Structure of Porphyranase A (Pora) in Complex with Neo- Porphyrotetraose also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Calcium	(Ca)	1 atom

The binding sites of Chlorine atom in the Crystal Structure of Porphyranase A (Pora) in Complex with Neo- Porphyrotetraose (pdb code 3ilf). 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 Porphyranase A (Pora) in Complex with Neo- Porphyrotetraose, PDB code: 3ilf:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Porphyranase A (Pora) in Complex with Neo- Porphyrotetraose


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 Porphyranase A (Pora) in Complex with Neo- Porphyrotetraose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl280 b:25.9 occ:1.00 O A:HOH367 2.6 29.9 1.0 MG A:MG279 2.8 8.0 1.0 N A:VAL71 3.0 8.2 1.0 N A:ILE44 3.0 13.7 1.0 CA A:PHE70 3.4 7.1 1.0 CB A:ILE44 3.5 10.3 1.0 CB A:PHE70 3.6 7.7 1.0 CA A:SER43 3.7 14.6 1.0 C A:PHE70 3.7 7.7 1.0 CG2 A:ILE44 3.7 10.6 1.0 C A:SER43 3.8 15.4 1.0 CB A:SER43 3.8 16.8 1.0 CA A:ILE44 3.9 11.2 1.0 O A:HOH556 3.9 21.0 1.0 CA A:VAL71 4.0 8.4 1.0 CB A:VAL71 4.0 9.2 1.0 O A:VAL71 4.1 8.6 1.0 O A:HOH502 4.3 38.8 1.0 CG2 A:VAL71 4.5 9.1 1.0 C A:VAL71 4.6 9.3 1.0 O A:ALA69 4.6 8.1 1.0 N A:PHE70 4.7 8.1 1.0 O A:HOH346 4.8 18.4 1.0 CG1 A:ILE44 4.9 7.8 1.0 O A:PHE70 4.9 7.6 1.0 O A:SER43 4.9 13.7 1.0 CG A:PHE70 5.0 8.8 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Porphyranase A (Pora) in Complex with Neo- Porphyrotetraose


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 Porphyranase A (Pora) in Complex with Neo- Porphyrotetraose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl281 b:8.7 occ:1.00 O A:HOH292 3.1 10.5 1.0 ND2 A:ASN253 3.1 12.2 1.0 N A:LYS250 3.2 8.4 1.0 N A:SER125 3.2 6.3 1.0 CA A:PRO249 3.6 5.5 1.0 CB A:ASN253 3.7 10.4 1.0 CA A:LEU124 3.7 6.3 1.0 CB A:PRO249 3.8 6.4 1.0 C A:LEU124 3.9 6.8 1.0 CG A:ASN253 3.9 14.1 1.0 C A:PRO249 3.9 7.2 1.0 CB A:LYS250 3.9 10.1 1.0 CD2 A:LEU124 4.1 10.0 1.0 CG A:LYS250 4.1 14.2 1.0 CB A:SER125 4.1 5.6 1.0 CA A:LYS250 4.1 9.0 1.0 CA A:SER125 4.3 6.0 1.0 CB A:LEU124 4.3 5.8 1.0 O A:LYS250 4.4 7.7 1.0 O A:ASP148 4.5 8.6 1.0 O A:SER123 4.5 9.0 1.0 CD A:LYS250 4.6 21.4 1.0 OD1 A:ASP148 4.7 20.9 1.0 C A:LYS250 4.8 8.1 1.0 N A:LEU124 4.8 7.3 1.0 CG A:LEU124 4.9 6.5 1.0 N A:PRO249 5.0 6.3 1.0

J.H.Hehemann, G.Correc, T.Barbeyron, W.Helbert, M.Czjzek, G.Michel. Transfer of Carbohydrate-Active Enzymes From Marine Bacteria to Japanese Gut Microbiota. Nature V. 464 908 2010.
ISSN: ISSN 0028-0836
PubMed: 20376150
DOI: 10.1038/NATURE08937