Zinc in PDB 4ifr: 2.40 Angstroms X-Ray Crystal Structure of R239A 2-Amino-3- Carboxymuconate-6-Semialdehyde Decarboxylase From Pseudomonas Fluorescens

The structure of 2.40 Angstroms X-Ray Crystal Structure of R239A 2-Amino-3- Carboxymuconate-6-Semialdehyde Decarboxylase From Pseudomonas Fluorescens, PDB code: 4ifr was solved by L.Huo, I.Davis, L.Chen, A.Liu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.52 / 2.39
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	91.162, 91.162, 167.989, 90.00, 90.00, 90.00
R / Rfree (%)	21 / 29.5

The binding sites of Zinc atom in the 2.40 Angstroms X-Ray Crystal Structure of R239A 2-Amino-3- Carboxymuconate-6-Semialdehyde Decarboxylase From Pseudomonas Fluorescens (pdb code 4ifr). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the 2.40 Angstroms X-Ray Crystal Structure of R239A 2-Amino-3- Carboxymuconate-6-Semialdehyde Decarboxylase From Pseudomonas Fluorescens, PDB code: 4ifr:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the 2.40 Angstroms X-Ray Crystal Structure of R239A 2-Amino-3- Carboxymuconate-6-Semialdehyde Decarboxylase From Pseudomonas Fluorescens


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of 2.40 Angstroms X-Ray Crystal Structure of R239A 2-Amino-3- Carboxymuconate-6-Semialdehyde Decarboxylase From Pseudomonas Fluorescens within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:60.0 occ:1.00 NE2 A:HIS11 2.2 56.2 1.0 NE2 A:HIS9 2.3 61.0 1.0 O A:HOH510 2.3 66.4 1.0 NE2 A:HIS177 2.4 56.6 1.0 OD1 A:ASP294 2.8 65.9 1.0 CD2 A:HIS11 3.2 56.5 1.0 CD2 A:HIS177 3.2 55.4 1.0 CE1 A:HIS11 3.2 61.6 1.0 CG A:ASP294 3.2 68.0 1.0 CE1 A:HIS9 3.2 64.7 1.0 OD2 A:ASP294 3.3 75.7 1.0 CD2 A:HIS9 3.3 60.8 1.0 CE1 A:HIS177 3.6 49.6 1.0 CE1 A:HIS228 3.7 71.1 1.0 NE2 A:HIS228 4.0 72.0 1.0 ND1 A:HIS11 4.3 64.6 1.0 CG A:HIS11 4.3 61.3 1.0 ND1 A:HIS9 4.3 66.3 1.0 CB A:ASP294 4.3 65.0 1.0 CG A:HIS9 4.4 69.8 1.0 CG A:HIS177 4.4 58.4 1.0 ND1 A:HIS177 4.6 58.5 1.0 CA A:ASP294 4.7 65.4 1.0 ND1 A:HIS228 4.9 67.8 1.0

Zinc binding site 2 out of 2 in the 2.40 Angstroms X-Ray Crystal Structure of R239A 2-Amino-3- Carboxymuconate-6-Semialdehyde Decarboxylase From Pseudomonas Fluorescens


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of 2.40 Angstroms X-Ray Crystal Structure of R239A 2-Amino-3- Carboxymuconate-6-Semialdehyde Decarboxylase From Pseudomonas Fluorescens within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn401 b:69.5 occ:1.00 NE2 B:HIS177 2.0 71.5 1.0 NE2 B:HIS11 2.3 60.7 1.0 NE2 B:HIS9 2.3 65.5 1.0 O B:HOH510 2.4 72.6 1.0 OD2 B:ASP294 2.6 70.1 1.0 CE1 B:HIS177 2.8 71.9 1.0 CD2 B:HIS177 3.2 75.2 1.0 CE1 B:HIS9 3.2 64.2 1.0 CG B:ASP294 3.2 68.9 1.0 CD2 B:HIS11 3.2 68.5 1.0 CE1 B:HIS11 3.3 70.0 1.0 CD2 B:HIS9 3.3 59.7 1.0 OD1 B:ASP294 3.5 74.0 1.0 NE2 B:HIS228 3.8 73.8 1.0 ND1 B:HIS177 4.0 78.3 1.0 CE1 B:HIS228 4.2 77.2 1.0 CG B:HIS177 4.2 76.6 1.0 ND1 B:HIS9 4.3 63.0 1.0 CB B:ASP294 4.3 69.3 1.0 ND1 B:HIS11 4.4 65.0 1.0 CG B:HIS9 4.4 67.8 1.0 CG B:HIS11 4.4 69.2 1.0 CA B:ASP294 4.7 68.6 1.0 CD2 B:HIS228 4.9 64.2 1.0

L.Huo, I.Davis, L.Chen, A.Liu. The Power of Two: Arginine 51 and Arginine 239* From A Neighboring Subunit Are Essential For Catalysis in Alpha-Amino-Beta-Carboxymuconate-Epsilon-Semialdehyde Decarboxylase. J.Biol.Chem. V. 288 30862 2013.
ISSN: ISSN 0021-9258
PubMed: 24019523
DOI: 10.1074/JBC.M113.496869