Cobalt in PDB 6mgs: Crystal Structure of Alpha-Amino-Beta-Carboxymuconate-Epsilon- Semialdehyde-Decarboxylase with Space Group of C2221

The structure of Crystal Structure of Alpha-Amino-Beta-Carboxymuconate-Epsilon- Semialdehyde-Decarboxylase with Space Group of C2221, PDB code: 6mgs was solved by Y.Yang, I.Davis, 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)	34.49 / 3.13
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	102.480, 154.170, 154.560, 90.00, 90.00, 90.00
R / Rfree (%)	22.9 / 30.1

The binding sites of Cobalt atom in the Crystal Structure of Alpha-Amino-Beta-Carboxymuconate-Epsilon- Semialdehyde-Decarboxylase with Space Group of C2221 (pdb code 6mgs). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 3 binding sites of Cobalt where determined in the Crystal Structure of Alpha-Amino-Beta-Carboxymuconate-Epsilon- Semialdehyde-Decarboxylase with Space Group of C2221, PDB code: 6mgs:
Jump to Cobalt binding site number: 1; 2; 3;

Cobalt binding site 1 out of 3 in the Crystal Structure of Alpha-Amino-Beta-Carboxymuconate-Epsilon- Semialdehyde-Decarboxylase with Space Group of C2221


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 with Space Group of C2221 within 5.0Å range: probe atom residue distance (Å) B Occ A:Co401 b:15.1 occ:1.00 NE2 A:HIS177 2.1 25.4 1.0 OD1 A:ASP294 2.1 27.7 1.0 NE2 A:HIS11 2.2 22.1 1.0 NE2 A:HIS9 2.4 21.6 1.0 CE1 A:HIS9 2.9 25.0 1.0 CE1 A:HIS177 2.9 29.3 1.0 CG A:ASP294 3.0 28.4 1.0 CD2 A:HIS11 3.1 24.4 1.0 CD2 A:HIS177 3.2 30.4 1.0 NE2 A:HIS228 3.2 27.9 1.0 CE1 A:HIS11 3.2 34.6 1.0 OD2 A:ASP294 3.3 36.6 1.0 CD2 A:HIS9 3.6 23.2 1.0 CE1 A:HIS228 4.1 34.0 1.0 ND1 A:HIS177 4.1 30.6 1.0 ND1 A:HIS9 4.1 25.0 1.0 O A:HOH504 4.2 12.2 1.0 CG A:HIS11 4.2 22.6 1.0 CG A:HIS177 4.2 35.7 1.0 CD2 A:HIS228 4.3 31.4 1.0 ND1 A:HIS11 4.3 31.1 1.0 CB A:ASP294 4.4 19.3 1.0 CG A:HIS9 4.5 23.4 1.0 CA A:ASP294 4.8 16.3 1.0

Cobalt binding site 2 out of 3 in the Crystal Structure of Alpha-Amino-Beta-Carboxymuconate-Epsilon- Semialdehyde-Decarboxylase with Space Group of C2221


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 with Space Group of C2221 within 5.0Å range: probe atom residue distance (Å) B Occ B:Co401 b:36.8 occ:1.00 OD1 B:ASP294 2.2 47.1 1.0 NE2 B:HIS11 2.3 43.2 1.0 NE2 B:HIS177 2.4 56.2 1.0 NE2 B:HIS9 2.9 28.1 1.0 O B:HOH502 3.0 24.7 1.0 CG B:ASP294 3.0 51.4 1.0 CE1 B:HIS177 3.0 57.6 1.0 CD2 B:HIS11 3.0 44.3 1.0 OD2 B:ASP294 3.1 61.2 1.0 CE1 B:HIS11 3.3 52.8 1.0 CE1 B:HIS9 3.4 35.2 1.0 NE2 B:HIS228 3.4 50.4 1.0 CD2 B:HIS177 3.6 54.9 1.0 CD2 B:HIS9 4.0 34.6 1.0 CG B:HIS11 4.1 46.5 1.0 CE1 B:HIS228 4.1 55.8 1.0 ND1 B:HIS11 4.2 52.1 1.0 ND1 B:HIS177 4.3 52.4 1.0 CB B:ASP294 4.4 39.7 1.0 CG B:HIS177 4.5 56.0 1.0 CD2 B:HIS228 4.6 51.9 1.0 ND1 B:HIS9 4.6 33.0 1.0 CA B:ASP294 4.9 41.0 1.0 CD2 B:PHE297 5.0 64.3 1.0 CG B:HIS9 5.0 35.2 1.0

Cobalt binding site 3 out of 3 in the Crystal Structure of Alpha-Amino-Beta-Carboxymuconate-Epsilon- Semialdehyde-Decarboxylase with Space Group of C2221


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 3 of Crystal Structure of Alpha-Amino-Beta-Carboxymuconate-Epsilon- Semialdehyde-Decarboxylase with Space Group of C2221 within 5.0Å range: probe atom residue distance (Å) B Occ C:Co401 b:47.2 occ:1.00 NE2 C:HIS177 2.0 46.9 1.0 OD1 C:ASP294 2.1 61.9 1.0 NE2 C:HIS9 2.2 54.0 1.0 NE2 C:HIS11 2.3 59.2 1.0 CE1 C:HIS9 2.7 60.6 1.0 CE1 C:HIS177 3.0 50.6 1.0 CD2 C:HIS177 3.1 50.2 1.0 CG C:ASP294 3.1 68.0 1.0 CD2 C:HIS11 3.1 65.8 1.0 NE2 C:HIS228 3.2 75.3 1.0 CE1 C:HIS11 3.3 59.7 1.0 OD2 C:ASP294 3.4 67.1 1.0 CD2 C:HIS9 3.4 65.4 1.0 ND1 C:HIS9 4.0 63.7 1.0 ND1 C:HIS177 4.1 46.8 1.0 CE1 C:HIS228 4.1 82.7 1.0 CG C:HIS177 4.2 52.5 1.0 CD2 C:HIS228 4.2 67.5 1.0 CG C:HIS11 4.3 68.8 1.0 ND1 C:HIS11 4.3 65.8 1.0 CG C:HIS9 4.3 65.0 1.0 CB C:ASP294 4.4 60.5 1.0 CA C:ASP294 4.8 61.9 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