Cobalt in PDB 2hbx: Crystal Structure of Alpha-Amino-Beta-Carboxymuconate-Epsilon- Semialdehyde-Decarboxylase (Acmsd)

The structure of Crystal Structure of Alpha-Amino-Beta-Carboxymuconate-Epsilon- Semialdehyde-Decarboxylase (Acmsd), PDB code: 2hbx was solved by D.Martynowski, Y.Eyobo, T.Li, K.Yang, A.Liu, H.Zhang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.50
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	91.569, 91.569, 167.910, 90.00, 90.00, 90.00
R / Rfree (%)	18.9 / 23.8

The binding sites of Cobalt atom in the Crystal Structure of Alpha-Amino-Beta-Carboxymuconate-Epsilon- Semialdehyde-Decarboxylase (Acmsd) (pdb code 2hbx). 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 (Acmsd), PDB code: 2hbx:
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 (Acmsd)


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 (Acmsd) within 5.0Å range: probe atom residue distance (Å) B Occ A:Co501 b:49.1 occ:1.00 NE2 A:HIS11 2.1 52.0 1.0 OD2 A:ASP294 2.1 66.7 1.0 NE2 A:HIS9 2.1 62.2 1.0 O A:HOH578 2.2 55.2 1.0 NE2 A:HIS177 2.3 54.9 1.0 NE2 A:HIS228 2.4 57.9 1.0 CE1 A:HIS11 2.9 51.4 1.0 CG A:ASP294 3.0 60.5 1.0 CE1 A:HIS228 3.1 60.7 1.0 CE1 A:HIS9 3.1 62.2 1.0 CD2 A:HIS177 3.1 53.0 1.0 CD2 A:HIS9 3.2 62.2 1.0 CD2 A:HIS11 3.2 51.6 1.0 OD1 A:ASP294 3.3 59.5 1.0 CE1 A:HIS177 3.3 50.7 1.0 CD2 A:HIS228 3.5 59.5 1.0 ND1 A:HIS11 4.1 48.2 1.0 ND1 A:HIS9 4.2 62.1 1.0 CG A:HIS11 4.2 54.2 1.0 ND1 A:HIS228 4.2 59.7 1.0 CB A:ASP294 4.3 59.3 1.0 CG A:HIS9 4.3 61.6 1.0 CG A:HIS177 4.3 56.3 1.0 ND1 A:HIS177 4.4 55.8 1.0 CG A:HIS228 4.5 58.5 1.0 O A:HOH502 4.6 55.5 1.0 CA A:ASP294 4.9 59.5 1.0

Cobalt binding site 2 out of 2 in the Crystal Structure of Alpha-Amino-Beta-Carboxymuconate-Epsilon- Semialdehyde-Decarboxylase (Acmsd)


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 (Acmsd) within 5.0Å range: probe atom residue distance (Å) B Occ B:Co401 b:60.9 occ:1.00 NE2 B:HIS9 2.1 67.9 1.0 OD1 B:ASP294 2.1 76.1 1.0 NE2 B:HIS11 2.2 59.3 1.0 NE2 B:HIS177 2.2 72.9 1.0 NE2 B:HIS228 2.5 67.4 1.0 O B:HOH402 2.9 73.4 1.0 CE1 B:HIS9 3.0 67.1 1.0 CG B:ASP294 3.0 71.5 1.0 CE1 B:HIS228 3.0 69.1 1.0 CE1 B:HIS11 3.1 65.9 1.0 CE1 B:HIS177 3.1 71.4 1.0 CD2 B:HIS9 3.2 67.0 1.0 CD2 B:HIS177 3.2 73.0 1.0 CD2 B:HIS11 3.2 67.0 1.0 OD2 B:ASP294 3.3 73.2 1.0 CD2 B:HIS228 3.7 66.7 1.0 ND1 B:HIS9 4.1 65.9 1.0 ND1 B:HIS11 4.2 66.6 1.0 CB B:ASP294 4.2 70.3 1.0 ND1 B:HIS228 4.3 67.9 1.0 CG B:HIS9 4.3 67.4 1.0 ND1 B:HIS177 4.3 72.2 1.0 CG B:HIS11 4.3 69.0 1.0 CG B:HIS177 4.3 73.6 1.0 CG B:HIS228 4.6 66.6 1.0 CA B:ASP294 4.8 70.4 1.0

D.Martynowski, Y.Eyobo, T.Li, K.Yang, A.Liu, H.Zhang. Crystal Structure of Alpha-Amino-Beta-Carboxymuconate-Epsilon-Semialdehyde Decarboxylase: Insight Into the Active Site and Catalytic Mechanism of A Novel Decarboxylation Reaction. Biochemistry V. 45 10412 2006.
ISSN: ISSN 0006-2960
PubMed: 16939194
DOI: 10.1021/BI060903Q