Chlorine in PDB 2hox: Alliinase From Allium Sativum (Garlic)

All present enzymatic activity of Alliinase From Allium Sativum (Garlic):
4.4.1.4;

The structure of Alliinase From Allium Sativum (Garlic), PDB code: 2hox was solved by L.J.W.Shimon, A.Rabinkov, M.Wilcheck, D.Mirelman, F.Frolow, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.10 / 1.40
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	67.665, 126.892, 102.664, 90.00, 97.30, 90.00
R / Rfree (%)	16.7 / 20.5

The binding sites of Chlorine atom in the Alliinase From Allium Sativum (Garlic) (pdb code 2hox). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Alliinase From Allium Sativum (Garlic), PDB code: 2hox:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Alliinase From Allium Sativum (Garlic)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Alliinase From Allium Sativum (Garlic) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl5001 b:12.8 occ:1.00 O A:HOH6118 3.2 28.4 1.0 N A:SER98 3.2 13.2 1.0 N A:PHE94 3.2 11.7 1.0 N A:PHE100 3.2 11.9 1.0 N A:ASN99 3.6 12.9 1.0 CA A:PHE93 3.7 11.8 1.0 CA A:VAL97 3.8 13.6 1.0 CA A:PHE100 3.8 12.2 1.0 CB A:PHE93 3.9 12.0 1.0 C A:PHE93 3.9 11.6 1.0 C A:SER98 3.9 13.2 1.0 CD1 A:PHE100 4.0 11.5 1.0 C A:VAL97 4.0 17.2 1.0 CD1 A:PHE93 4.0 15.4 1.0 CB A:PHE94 4.1 12.8 1.0 CD1 A:PHE94 4.1 13.6 1.0 CA A:SER98 4.1 12.5 1.0 CA A:PHE94 4.1 12.4 1.0 CB A:VAL97 4.2 18.0 1.0 OG A:SER98 4.2 16.7 1.0 C A:ASN99 4.2 12.6 1.0 CA A:ASN99 4.3 14.9 1.0 O A:PHE94 4.3 14.3 1.0 CG A:PHE93 4.5 14.8 1.0 CE1 A:PHE100 4.5 13.2 1.0 CG A:PHE94 4.6 12.2 1.0 CG1 A:VAL97 4.6 18.6 1.0 O A:HOH6108 4.6 28.1 1.0 CG A:PHE100 4.6 11.2 1.0 C A:PHE94 4.6 12.6 1.0 O A:SER98 4.7 12.7 1.0 O A:TYR92 4.7 11.9 1.0 CB A:SER98 4.7 14.4 1.0 CB A:PHE100 4.8 12.4 1.0 C A:PHE100 4.9 11.9 1.0 N A:PHE93 4.9 11.3 1.0

Chlorine binding site 2 out of 4 in the Alliinase From Allium Sativum (Garlic)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Alliinase From Allium Sativum (Garlic) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl5002 b:16.0 occ:1.00 O B:HOH6512 3.2 31.9 1.0 N B:PHE100 3.2 14.5 1.0 N B:PHE94 3.2 15.1 1.0 N B:SER98 3.2 16.7 1.0 N B:ASN99 3.7 15.7 1.0 CA B:PHE93 3.7 15.7 1.0 CA B:PHE100 3.8 12.2 1.0 CA B:VAL97 3.8 18.8 1.0 CB B:PHE93 3.9 15.5 1.0 CD1 B:PHE100 3.9 12.9 1.0 C B:SER98 3.9 14.8 1.0 C B:PHE93 4.0 14.9 1.0 CB B:PHE94 4.0 17.3 1.0 C B:VAL97 4.0 18.6 1.0 CD1 B:PHE94 4.1 16.4 1.0 CB B:VAL97 4.1 18.5 1.0 CD1 B:PHE93 4.1 20.6 1.0 CA B:PHE94 4.1 15.5 1.0 CA B:SER98 4.1 16.1 1.0 C B:ASN99 4.2 14.6 1.0 OG B:SER98 4.3 17.3 1.0 O B:PHE94 4.3 18.1 1.0 CA B:ASN99 4.3 16.4 1.0 CE1 B:PHE100 4.4 16.4 1.0 CG1 B:VAL97 4.4 20.8 1.0 CG B:PHE93 4.5 17.2 1.0 CG B:PHE94 4.5 14.1 1.0 CG B:PHE100 4.6 11.4 1.0 O B:HOH6124 4.6 31.6 1.0 C B:PHE94 4.6 16.9 1.0 O B:SER98 4.7 16.8 1.0 O B:TYR92 4.7 12.8 1.0 CB B:PHE100 4.8 11.8 1.0 CB B:SER98 4.8 18.6 1.0 C B:PHE100 4.9 13.0 1.0 N B:PHE93 5.0 15.4 1.0

Chlorine binding site 3 out of 4 in the Alliinase From Allium Sativum (Garlic)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Alliinase From Allium Sativum (Garlic) within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl5003 b:13.4 occ:1.00 O C:HOH6151 3.2 28.6 1.0 N C:PHE100 3.2 11.9 1.0 N C:PHE94 3.2 13.2 1.0 N C:SER98 3.2 15.2 1.0 CA C:PHE93 3.7 13.6 1.0 N C:ASN99 3.7 12.5 1.0 CA C:PHE100 3.8 10.7 1.0 CB C:PHE93 3.8 13.7 1.0 CA C:VAL97 3.9 17.9 1.0 CD1 C:PHE100 3.9 11.6 1.0 C C:PHE93 4.0 12.6 1.0 C C:SER98 4.0 14.4 1.0 CB C:PHE94 4.0 14.7 1.0 C C:VAL97 4.0 17.3 1.0 CD1 C:PHE93 4.1 16.7 1.0 CD1 C:PHE94 4.1 14.9 1.0 CA C:PHE94 4.1 13.2 1.0 CB C:VAL97 4.1 18.3 1.0 CA C:SER98 4.1 14.1 1.0 C C:ASN99 4.2 13.2 1.0 O C:PHE94 4.3 16.2 1.0 OG C:SER98 4.3 16.4 1.0 CA C:ASN99 4.3 12.8 1.0 CE1 C:PHE100 4.4 12.8 1.0 CG C:PHE93 4.5 12.7 1.0 O C:HOH6075 4.5 28.8 1.0 CG C:PHE100 4.5 12.2 1.0 CG C:PHE94 4.6 12.7 1.0 CG1 C:VAL97 4.6 22.9 1.0 C C:PHE94 4.6 16.2 1.0 O C:TYR92 4.7 12.0 1.0 O C:SER98 4.7 14.3 1.0 CB C:PHE100 4.8 11.4 1.0 CB C:SER98 4.8 14.5 1.0 C C:PHE100 4.9 13.6 1.0 N C:PHE93 4.9 13.4 1.0

Chlorine binding site 4 out of 4 in the Alliinase From Allium Sativum (Garlic)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Alliinase From Allium Sativum (Garlic) within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl5004 b:15.3 occ:1.00 O D:HOH6153 3.1 33.7 1.0 N D:SER98 3.2 15.8 1.0 N D:PHE100 3.2 12.3 1.0 N D:PHE94 3.2 14.6 1.0 N D:ASN99 3.6 14.1 1.0 CA D:PHE93 3.7 13.7 1.0 CA D:PHE100 3.8 13.1 1.0 CA D:VAL97 3.8 18.8 1.0 CB D:PHE93 3.9 16.2 1.0 C D:PHE93 3.9 14.8 1.0 CD1 D:PHE100 3.9 13.4 1.0 C D:SER98 4.0 13.6 1.0 C D:VAL97 4.0 20.8 1.0 CD1 D:PHE93 4.1 16.4 1.0 CD1 D:PHE94 4.1 12.6 1.0 CB D:VAL97 4.1 19.9 1.0 CA D:SER98 4.1 16.2 1.0 CB D:PHE94 4.2 16.0 1.0 CA D:PHE94 4.2 14.2 1.0 C D:ASN99 4.2 14.8 1.0 O D:PHE94 4.3 17.7 1.0 CA D:ASN99 4.3 16.1 1.0 OG D:SER98 4.3 17.5 1.0 CE1 D:PHE100 4.4 15.7 1.0 CG1 D:VAL97 4.4 20.9 1.0 CG D:PHE93 4.5 16.5 1.0 O D:HOH6048 4.5 29.2 1.0 CG D:PHE100 4.6 12.5 1.0 C D:PHE94 4.6 14.3 1.0 CG D:PHE94 4.6 12.9 1.0 O D:SER98 4.7 16.0 1.0 O D:TYR92 4.7 12.7 1.0 CB D:PHE100 4.8 15.6 1.0 CB D:SER98 4.8 18.3 1.0 C D:PHE100 4.9 14.8 1.0 N D:PHE93 4.9 13.3 1.0

L.J.Shimon, A.Rabinkov, I.Shin, T.Miron, D.Mirelman, M.Wilchek, F.Frolow. Two Structures of Alliinase From Alliium Sativum L.: Apo Form and Ternary Complex with Aminoacrylate Reaction Intermediate Covalently Bound to the Plp Cofactor. J.Mol.Biol. V. 366 611 2007.
ISSN: ISSN 0022-2836
PubMed: 17174334
DOI: 10.1016/J.JMB.2006.11.041