Chlorine in PDB 4g22: Structure of A Lys-Hct Mutant From Coffea Canephora (Crystal Form 1)

All present enzymatic activity of Structure of A Lys-Hct Mutant From Coffea Canephora (Crystal Form 1):
2.3.1.133;

The structure of Structure of A Lys-Hct Mutant From Coffea Canephora (Crystal Form 1), PDB code: 4g22 was solved by A.A.Mccarthy, L.A.Lallemand, J.G.Mccarthy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.94 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	63.550, 116.480, 118.040, 90.00, 90.00, 90.00
R / Rfree (%)	16.8 / 20.3

The binding sites of Chlorine atom in the Structure of A Lys-Hct Mutant From Coffea Canephora (Crystal Form 1) (pdb code 4g22). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of A Lys-Hct Mutant From Coffea Canephora (Crystal Form 1), PDB code: 4g22:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of A Lys-Hct Mutant From Coffea Canephora (Crystal Form 1)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of A Lys-Hct Mutant From Coffea Canephora (Crystal Form 1) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl503 b:23.4 occ:1.00 O A:HOH690 3.2 32.0 1.0 N A:VAL102 3.3 20.4 1.0 N A:GLY144 3.3 19.4 1.0 N A:CSO142 3.4 26.6 1.0 O A:HOH641 3.5 28.6 1.0 C A:CSO142 3.6 25.5 1.0 CB A:CSO142 3.6 32.1 1.0 CB A:PHE140 3.6 16.2 1.0 CA A:CSO142 3.6 26.4 1.0 CA A:VAL101 3.7 20.8 1.0 CB A:VAL101 3.7 21.8 1.0 CA A:GLY144 3.8 17.4 1.0 N A:GLY143 3.8 21.7 1.0 CG2 A:VAL102 4.0 22.2 1.0 C A:VAL101 4.0 21.1 1.0 O A:CSO142 4.1 25.1 1.0 CB A:VAL102 4.1 21.3 1.0 CG1 A:VAL101 4.1 23.2 1.0 CA A:VAL102 4.3 20.9 1.0 C A:PHE140 4.4 20.9 1.0 C A:GLY143 4.4 20.9 1.0 N A:LYS141 4.4 20.4 1.0 CG A:PHE140 4.6 15.8 1.0 CA A:PHE140 4.6 17.1 1.0 C A:LYS141 4.6 28.4 1.0 CA A:GLY143 4.7 21.7 1.0 O A:PHE140 4.7 19.9 1.0 C A:GLY144 4.7 17.8 1.0 O A:GLY144 4.8 16.4 1.0 SG A:CSO142 4.9 36.6 1.0 O A:GLY100 5.0 21.4 1.0

Chlorine binding site 2 out of 2 in the Structure of A Lys-Hct Mutant From Coffea Canephora (Crystal Form 1)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of A Lys-Hct Mutant From Coffea Canephora (Crystal Form 1) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl502 b:28.9 occ:1.00 O B:HOH743 2.9 42.7 1.0 N B:GLY144 3.2 20.1 1.0 N B:VAL102 3.2 27.1 1.0 N B:CSO142 3.4 35.2 1.0 CB B:CSO142 3.5 36.6 1.0 C B:CSO142 3.5 31.6 1.0 CB B:PHE140 3.6 23.8 1.0 CA B:CSO142 3.6 35.1 1.0 N B:GLY143 3.7 27.4 1.0 O B:HOH723 3.7 40.3 1.0 CA B:VAL101 3.7 28.8 1.0 CA B:GLY144 3.7 21.4 1.0 CB B:VAL101 3.8 31.7 1.0 C B:VAL101 4.0 28.8 1.0 CG2 B:VAL102 4.0 27.6 1.0 O B:CSO142 4.0 30.4 1.0 CB B:VAL102 4.1 28.0 1.0 CG1 B:VAL101 4.2 31.4 1.0 C B:PHE140 4.3 27.6 1.0 CA B:VAL102 4.3 28.8 1.0 C B:GLY143 4.3 25.3 1.0 N B:LYS141 4.4 27.8 1.0 CA B:PHE140 4.5 25.6 1.0 C B:LYS141 4.6 34.3 1.0 CG B:PHE140 4.6 22.7 1.0 CA B:GLY143 4.6 27.6 1.0 O B:PHE140 4.6 26.2 1.0 C B:GLY144 4.7 19.2 1.0 O B:GLY144 4.8 21.3 1.0 SG B:CSO142 4.9 46.4 1.0 O B:GLY100 5.0 27.5 1.0

L.A.Lallemand, C.Zubieta, S.G.Lee, Y.Wang, S.Acajjaoui, J.Timmins, S.Mcsweeney, J.M.Jez, J.G.Mccarthy, A.A.Mccarthy. A Structural Basis For the Biosynthesis of the Major Chlorogenic Acids Found in Coffee. Plant Physiol. V. 160 249 2012.
ISSN: ISSN 0032-0889
PubMed: 22822210
DOI: 10.1104/PP.112.202051