Chlorine in PDB 5d2f: 4-Oxalocrotonate Decarboxylase From Pseudomonas Putida G7 - Apo Form

All present enzymatic activity of 4-Oxalocrotonate Decarboxylase From Pseudomonas Putida G7 - Apo Form:
4.1.1.77;

The structure of 4-Oxalocrotonate Decarboxylase From Pseudomonas Putida G7 - Apo Form, PDB code: 5d2f was solved by S.L.Guimaraes, R.A.P.Nagem, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.35 / 1.74
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	43.763, 44.939, 125.141, 90.00, 90.00, 90.00
R / Rfree (%)	16.8 / 21.1

The binding sites of Chlorine atom in the 4-Oxalocrotonate Decarboxylase From Pseudomonas Putida G7 - Apo Form (pdb code 5d2f). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the 4-Oxalocrotonate Decarboxylase From Pseudomonas Putida G7 - Apo Form, PDB code: 5d2f:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the 4-Oxalocrotonate Decarboxylase From Pseudomonas Putida G7 - Apo Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 4-Oxalocrotonate Decarboxylase From Pseudomonas Putida G7 - Apo Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl313 b:18.2 occ:1.00 O A:HOH415 3.1 23.5 1.0 NE A:ARG167 3.2 12.2 1.0 N A:ASP99 3.2 10.9 1.0 NH2 A:ARG167 3.4 11.7 1.0 CB A:ASP99 3.7 9.8 1.0 CZ A:ARG167 3.7 13.7 1.0 CA A:ASP99 3.9 9.7 1.0 O A:ASP99 4.0 12.1 1.0 CA A:VAL98 4.1 11.1 1.0 C A:VAL98 4.1 12.4 1.0 CD A:LYS102 4.2 18.7 1.0 CD A:ARG167 4.2 7.6 1.0 CG1 A:VAL98 4.4 9.8 1.0 C A:ASP99 4.4 9.1 1.0 O A:VAL97 4.5 13.5 1.0 O A:HOH419 4.6 26.4 1.0 O A:HOH481 4.7 15.0 1.0 CB A:LYS102 4.8 8.1 1.0 CB A:VAL98 4.8 11.7 1.0 CG A:ARG167 4.9 8.1 1.0 NZ A:LYS102 4.9 31.4 1.0

Chlorine binding site 2 out of 2 in the 4-Oxalocrotonate Decarboxylase From Pseudomonas Putida G7 - Apo Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 4-Oxalocrotonate Decarboxylase From Pseudomonas Putida G7 - Apo Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl314 b:52.9 occ:1.00 N A:PHE151 3.5 38.2 1.0 N A:LYS152 3.7 36.8 1.0 NZ A:LYS152 3.9 58.4 1.0 ND2 A:ASN150 3.9 33.0 1.0 CB A:ASN150 3.9 36.0 1.0 CA A:ASN150 4.2 28.2 1.0 CB A:PHE151 4.2 47.6 1.0 NZ A:LYS29 4.3 39.2 1.0 CA A:PHE151 4.3 41.9 1.0 C A:ASN150 4.3 31.0 1.0 CB A:LYS152 4.3 33.4 1.0 CE A:LYS152 4.3 55.0 1.0 CG A:ASN150 4.5 32.5 1.0 C A:PHE151 4.5 43.3 1.0 CA A:LYS152 4.6 32.8 1.0 CG A:LYS152 4.7 41.5 1.0

S.L.Guimaraes, J.B.Coitinho, D.M.Costa, S.S.Araujo, C.P.Whitman, R.A.Nagem. Crystal Structures of Apo and Liganded 4-Oxalocrotonate Decarboxylase Uncover A Structural Basis For the Metal-Assisted Decarboxylation of A Vinylogous Beta-Keto Acid. Biochemistry V. 55 2632 2016.
ISSN: ISSN 0006-2960
PubMed: 27082660
DOI: 10.1021/ACS.BIOCHEM.6B00050