Chlorine in PDB 1lk9: The Three-Dimensional Structure of Alliinase From Garlic

All present enzymatic activity of The Three-Dimensional Structure of Alliinase From Garlic:
4.4.1.4;

The structure of The Three-Dimensional Structure of Alliinase From Garlic, PDB code: 1lk9 was solved by E.B.Kuettner, R.Hilgenfeld, M.S.Weiss, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	12.00 / 1.53
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	68.450, 101.070, 155.690, 90.00, 90.00, 90.00
R / Rfree (%)	19.3 / 22.1

The binding sites of Chlorine atom in the The Three-Dimensional Structure of Alliinase From Garlic (pdb code 1lk9). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the The Three-Dimensional Structure of Alliinase From Garlic, PDB code: 1lk9:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the The Three-Dimensional Structure of Alliinase From Garlic


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Three-Dimensional Structure of Alliinase From Garlic within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1001 b:18.4 occ:1.00 N A:PHE94 3.1 16.7 1.0 O A:HOH1154 3.1 39.1 1.0 N A:PHE100 3.2 18.1 1.0 N A:SER98 3.2 17.8 1.0 N A:ASN99 3.7 17.1 1.0 CA A:PHE93 3.7 16.0 1.0 CA A:PHE100 3.7 17.5 1.0 CB A:PHE93 3.8 17.9 1.0 CA A:VAL97 3.9 18.3 1.0 C A:SER98 3.9 17.3 1.0 CD1 A:PHE100 3.9 17.1 1.0 C A:PHE93 3.9 16.4 1.0 C A:VAL97 4.0 18.6 1.0 CD1 A:PHE93 4.0 19.6 1.0 CA A:SER98 4.0 16.7 1.0 CB A:PHE94 4.1 16.4 1.0 CB A:VAL97 4.1 20.9 1.0 CA A:PHE94 4.1 16.6 1.0 CD1 A:PHE94 4.1 17.5 1.0 C A:ASN99 4.2 17.2 1.0 OG A:SER98 4.3 19.8 1.0 CA A:ASN99 4.3 17.5 1.0 O A:PHE94 4.4 18.5 1.0 CG A:PHE93 4.5 16.8 1.0 CG1 A:VAL97 4.5 21.1 1.0 CE1 A:PHE100 4.5 18.1 1.0 CG A:PHE100 4.5 15.3 1.0 O A:HOH1176 4.5 29.2 1.0 CG A:PHE94 4.6 16.8 1.0 C A:PHE94 4.6 17.9 1.0 O A:SER98 4.7 17.7 1.0 CB A:PHE100 4.7 17.7 1.0 O A:TYR92 4.7 15.1 1.0 CB A:SER98 4.8 17.7 1.0 C A:PHE100 4.8 18.0 1.0 N A:PHE93 4.9 14.8 1.0 N A:ILE101 5.0 17.6 1.0

Chlorine binding site 2 out of 2 in the The Three-Dimensional Structure of Alliinase From Garlic


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Three-Dimensional Structure of Alliinase From Garlic within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1002 b:19.4 occ:1.00 N B:PHE94 3.2 18.9 1.0 N B:PHE100 3.2 17.4 1.0 O B:HOH1131 3.2 35.9 1.0 N B:SER98 3.2 21.9 1.0 CA B:PHE93 3.6 17.5 1.0 N B:ASN99 3.7 19.5 1.0 CA B:PHE100 3.8 17.1 1.0 CA B:VAL97 3.8 22.7 1.0 CB B:PHE93 3.8 18.2 1.0 CD1 B:PHE100 3.9 18.0 1.0 C B:SER98 3.9 20.5 1.0 C B:PHE93 4.0 18.8 1.0 CB B:PHE94 4.0 17.3 1.0 CD1 B:PHE94 4.0 18.1 1.0 C B:VAL97 4.0 22.2 1.0 CB B:VAL97 4.1 24.9 1.0 CD1 B:PHE93 4.1 19.6 1.0 CA B:SER98 4.1 21.8 1.0 CA B:PHE94 4.1 19.0 1.0 C B:ASN99 4.2 17.6 1.0 O B:PHE94 4.3 20.7 1.0 OG B:SER98 4.3 25.2 1.0 CE1 B:PHE100 4.3 21.3 1.0 CA B:ASN99 4.3 18.2 1.0 CG B:PHE93 4.4 19.7 1.0 CG B:PHE100 4.5 17.9 1.0 CG1 B:VAL97 4.5 25.6 1.0 CG B:PHE94 4.5 16.1 1.0 O B:SER98 4.6 20.0 1.0 C B:PHE94 4.6 20.2 1.0 O B:HOH1361 4.7 30.3 1.0 O B:TYR92 4.8 18.6 1.0 CB B:PHE100 4.8 16.3 1.0 CB B:SER98 4.8 24.2 1.0 C B:PHE100 4.9 17.0 1.0 N B:PHE93 4.9 17.3 1.0 N B:ILE101 5.0 15.7 1.0

E.B.Kuettner, R.Hilgenfeld, M.S.Weiss. The Active Principle of Garlic at Atomic Resolution J.Biol.Chem. V. 277 46402 2002.
ISSN: ISSN 0021-9258
PubMed: 12235163
DOI: 10.1074/JBC.M208669200