Zinc in PDB 4ifo: 2.50 Angstroms X-Ray Crystal Structure of R51A 2-Amino-3- Carboxymuconate-6-Semialdehyde Decarboxylase From Pseudomonas Fluorescens

The structure of 2.50 Angstroms X-Ray Crystal Structure of R51A 2-Amino-3- Carboxymuconate-6-Semialdehyde Decarboxylase From Pseudomonas Fluorescens, PDB code: 4ifo 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)	23.31 / 2.50
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	91.210, 91.210, 170.466, 90.00, 90.00, 90.00
R / Rfree (%)	19.7 / 24.4

The binding sites of Zinc atom in the 2.50 Angstroms X-Ray Crystal Structure of R51A 2-Amino-3- Carboxymuconate-6-Semialdehyde Decarboxylase From Pseudomonas Fluorescens (pdb code 4ifo). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the 2.50 Angstroms X-Ray Crystal Structure of R51A 2-Amino-3- Carboxymuconate-6-Semialdehyde Decarboxylase From Pseudomonas Fluorescens, PDB code: 4ifo:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the 2.50 Angstroms X-Ray Crystal Structure of R51A 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 2.50 Angstroms X-Ray Crystal Structure of R51A 2-Amino-3- Carboxymuconate-6-Semialdehyde Decarboxylase From Pseudomonas Fluorescens within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:49.4 occ:1.00 NE2 A:HIS11 2.3 42.0 1.0 NE2 A:HIS9 2.3 38.4 1.0 NE2 A:HIS177 2.3 36.4 1.0 O A:HOH550 2.6 49.1 1.0 OD2 A:ASP294 2.7 44.9 1.0 OD1 A:ASP294 2.9 41.7 1.0 CD2 A:HIS11 3.0 41.3 1.0 CG A:ASP294 3.0 43.9 1.0 CE1 A:HIS9 3.1 38.5 1.0 CD2 A:HIS177 3.2 33.2 1.0 CE1 A:HIS177 3.4 33.9 1.0 CD2 A:HIS9 3.4 39.9 1.0 CE1 A:HIS11 3.4 42.3 1.0 NE2 A:HIS228 3.9 42.6 1.0 O A:HOH551 4.0 53.4 1.0 CE1 A:HIS228 4.0 47.2 1.0 CB A:ASP294 4.2 40.8 1.0 CG A:HIS11 4.2 45.2 1.0 ND1 A:HIS9 4.3 42.8 1.0 ND1 A:HIS11 4.4 40.5 1.0 CG A:HIS9 4.4 45.8 1.0 CG A:HIS177 4.4 39.0 1.0 ND1 A:HIS177 4.5 37.8 1.0 CA A:ASP294 4.6 41.6 1.0 CD1 A:PHE297 5.0 50.9 1.0

Zinc binding site 2 out of 2 in the 2.50 Angstroms X-Ray Crystal Structure of R51A 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 2.50 Angstroms X-Ray Crystal Structure of R51A 2-Amino-3- Carboxymuconate-6-Semialdehyde Decarboxylase From Pseudomonas Fluorescens within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn401 b:61.0 occ:1.00 NE2 B:HIS177 2.3 50.5 1.0 NE2 B:HIS11 2.4 52.9 1.0 NE2 B:HIS9 2.5 54.3 1.0 OD2 B:ASP294 2.7 50.3 1.0 CG B:ASP294 3.1 48.6 1.0 CE1 B:HIS9 3.2 49.9 1.0 CD2 B:HIS177 3.2 53.5 1.0 CD2 B:HIS11 3.3 52.1 1.0 OD1 B:ASP294 3.4 58.5 1.0 CE1 B:HIS177 3.4 54.6 1.0 CE1 B:HIS11 3.4 57.1 1.0 CD2 B:HIS9 3.5 52.1 1.0 NE2 B:HIS228 3.8 46.4 1.0 CE1 B:HIS228 3.9 46.9 1.0 CB B:ASP294 4.2 48.4 1.0 ND1 B:HIS9 4.3 51.0 1.0 CG B:HIS177 4.4 54.9 1.0 CG B:HIS11 4.4 58.9 1.0 ND1 B:HIS177 4.4 57.5 1.0 ND1 B:HIS11 4.5 50.0 1.0 CG B:HIS9 4.5 49.6 1.0 CA B:ASP294 4.6 46.6 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