Chlorine in PDB 2hor: Crystal Structure of Alliinase From Garlic- Apo Form

All present enzymatic activity of Crystal Structure of Alliinase From Garlic- Apo Form:
4.4.1.4;

The structure of Crystal Structure of Alliinase From Garlic- Apo Form, PDB code: 2hor 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)	39.60 / 1.60
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	81.118, 81.118, 164.017, 90.00, 90.00, 90.00
R / Rfree (%)	16.3 / 17.9

The binding sites of Chlorine atom in the Crystal Structure of Alliinase From Garlic- Apo Form (pdb code 2hor). 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 Alliinase From Garlic- Apo Form, PDB code: 2hor:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Alliinase From Garlic- Apo Form


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 Alliinase From Garlic- Apo Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl705 b:18.3 occ:1.00 N A:PHE100 3.2 28.8 1.0 N A:SER98 3.2 30.0 1.0 N A:PHE94 3.3 29.0 1.0 O A:HOH1055 3.3 43.1 1.0 CA A:PHE93 3.7 29.1 1.0 N A:ASN99 3.7 29.2 1.0 CA A:PHE100 3.7 29.6 1.0 CA A:VAL97 3.9 30.3 1.0 CB A:PHE93 3.9 29.7 1.0 CD1 A:PHE100 3.9 28.3 1.0 C A:SER98 4.0 29.4 1.0 C A:PHE93 4.0 29.8 1.0 CD1 A:PHE94 4.0 29.4 1.0 CD1 A:PHE93 4.0 30.8 1.0 C A:VAL97 4.1 30.3 1.0 CB A:PHE94 4.1 29.5 1.0 CA A:SER98 4.1 29.8 1.0 CB A:VAL97 4.2 30.2 1.0 CA A:PHE94 4.2 29.6 1.0 OG A:SER98 4.2 33.0 1.0 C A:ASN99 4.3 29.1 1.0 CA A:ASN99 4.4 29.6 1.0 O A:PHE94 4.4 31.1 1.0 CG A:PHE93 4.5 29.0 1.0 CE1 A:PHE100 4.5 30.0 1.0 CG1 A:VAL97 4.5 33.0 1.0 CG A:PHE100 4.5 29.2 1.0 CG A:PHE94 4.6 29.2 1.0 O A:SER98 4.6 29.3 1.0 O A:TYR92 4.7 28.4 1.0 C A:PHE94 4.7 29.5 1.0 CB A:PHE100 4.7 29.6 1.0 CB A:SER98 4.8 30.4 1.0 C A:PHE100 4.8 29.3 1.0 O A:HOH1064 4.8 40.6 1.0 N A:PHE93 4.9 28.4 1.0 N A:ILE101 5.0 30.0 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Alliinase From Garlic- Apo Form


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 Alliinase From Garlic- Apo Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl706 b:47.2 occ:1.00 OE2 A:GLU114 3.1 39.3 0.5 O A:HOH1192 3.1 65.6 1.0 O A:HOH947 3.5 44.2 1.0 CB A:LYS122 3.7 41.0 1.0 O A:HOH859 3.9 45.6 1.0 CA A:ALA120 3.9 33.2 1.0 N A:LYS122 3.9 39.4 1.0 N A:ALA121 4.0 35.2 1.0 NZ A:LYS239 4.0 38.7 1.0 CB A:ALA120 4.1 32.9 1.0 CD A:GLU114 4.2 37.0 0.5 C A:ALA120 4.4 34.5 1.0 CA A:LYS122 4.5 39.5 1.0 O A:HOH1147 4.5 52.7 1.0 CD A:LYS239 4.6 35.1 1.0 CE A:LYS239 4.7 38.1 1.0 O A:HOH903 4.7 36.9 1.0 OE1 A:GLU114 4.8 40.2 0.5 CG A:LYS122 4.9 42.8 1.0 O A:HOH959 4.9 56.8 1.0 C A:ALA121 5.0 37.4 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