Cobalt in PDB 6mgt: Crystal Structure of Alpha-Amino-Beta-Carboxymuconate-Epsilon- Semialdehyde Decarboxylase Mutant H110A

The structure of Crystal Structure of Alpha-Amino-Beta-Carboxymuconate-Epsilon- Semialdehyde Decarboxylase Mutant H110A, PDB code: 6mgt was solved by Y.Yang, I.Daivs, T.Matsui, I.Rubalcava, A.Liu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.06 / 2.77
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	90.934, 90.934, 170.107, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 25.8

The binding sites of Cobalt atom in the Crystal Structure of Alpha-Amino-Beta-Carboxymuconate-Epsilon- Semialdehyde Decarboxylase Mutant H110A (pdb code 6mgt). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 2 binding sites of Cobalt where determined in the Crystal Structure of Alpha-Amino-Beta-Carboxymuconate-Epsilon- Semialdehyde Decarboxylase Mutant H110A, PDB code: 6mgt:
Jump to Cobalt binding site number: 1; 2;

Cobalt binding site 1 out of 2 in the Crystal Structure of Alpha-Amino-Beta-Carboxymuconate-Epsilon- Semialdehyde Decarboxylase Mutant H110A


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of Crystal Structure of Alpha-Amino-Beta-Carboxymuconate-Epsilon- Semialdehyde Decarboxylase Mutant H110A within 5.0Å range: probe atom residue distance (Å) B Occ A:Co401 b:60.2 occ:1.00 OD2 A:ASP294 1.9 69.1 1.0 NE2 A:HIS177 2.1 65.9 1.0 NE2 A:HIS11 2.2 55.5 1.0 NE2 A:HIS9 2.3 60.1 1.0 CG A:ASP294 2.8 66.0 1.0 CE1 A:HIS9 2.9 58.9 1.0 O A:HOH510 2.9 59.3 1.0 CE1 A:HIS177 3.0 61.6 1.0 OD1 A:ASP294 3.0 76.2 1.0 CD2 A:HIS177 3.1 58.1 1.0 CE1 A:HIS11 3.2 59.3 1.0 CD2 A:HIS11 3.2 63.0 1.0 CE1 A:HIS228 3.4 65.7 1.0 CD2 A:HIS9 3.4 62.0 1.0 NE2 A:HIS228 3.6 71.8 1.0 ND1 A:HIS9 4.1 63.2 1.0 CB A:ASP294 4.1 57.5 1.0 ND1 A:HIS177 4.1 54.0 1.0 CG A:HIS177 4.2 58.6 1.0 ND1 A:HIS11 4.3 60.3 1.0 CG A:HIS11 4.3 58.2 1.0 CG A:HIS9 4.4 61.4 1.0 CA A:ASP294 4.5 59.8 1.0 ND1 A:HIS228 4.6 71.3 1.0 CE A:MET198 4.9 74.1 1.0 CD2 A:HIS228 4.9 70.1 1.0

Cobalt binding site 2 out of 2 in the Crystal Structure of Alpha-Amino-Beta-Carboxymuconate-Epsilon- Semialdehyde Decarboxylase Mutant H110A


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of Crystal Structure of Alpha-Amino-Beta-Carboxymuconate-Epsilon- Semialdehyde Decarboxylase Mutant H110A within 5.0Å range: probe atom residue distance (Å) B Occ B:Co401 b:70.9 occ:1.00 OD2 B:ASP294 2.0 72.3 1.0 NE2 B:HIS177 2.0 73.2 1.0 NE2 B:HIS11 2.2 78.2 1.0 NE2 B:HIS9 2.2 74.2 1.0 O B:HOH502 2.7 72.7 1.0 CE1 B:HIS9 2.8 74.6 1.0 CG B:ASP294 2.9 69.7 1.0 CE1 B:HIS177 3.0 75.4 1.0 CD2 B:HIS177 3.0 74.8 1.0 CE1 B:HIS11 3.1 75.2 1.0 CD2 B:HIS11 3.2 79.2 1.0 OD1 B:ASP294 3.2 71.2 1.0 CD2 B:HIS9 3.4 75.3 1.0 CE1 B:HIS228 3.5 77.3 1.0 NE2 B:HIS228 3.7 78.0 1.0 ND1 B:HIS9 4.0 72.7 1.0 ND1 B:HIS177 4.1 72.7 1.0 CG B:HIS177 4.1 72.3 1.0 CB B:ASP294 4.2 66.3 1.0 ND1 B:HIS11 4.2 71.9 1.0 CG B:HIS11 4.3 73.7 1.0 CG B:HIS9 4.3 73.5 1.0 CA B:ASP294 4.6 67.2 1.0 ND1 B:HIS228 4.6 62.9 1.0 O B:HOH504 4.7 75.5 1.0 CE B:MET198 5.0 77.3 1.0

Y.Yang, I.Davis, T.Matsui, I.Rubalcava, A.Liu. Quaternary Structure of Alpha-Amino-Beta-Carboxymuconate-ε-Semialdehyde Decarboxylase (Acmsd) Controls Its Activity. J.Biol.Chem. V. 294 11609 2019.
ISSN: ESSN 1083-351X
PubMed: 31189654
DOI: 10.1074/JBC.RA119.009035