Cobalt in PDB 4era: Evidence For A Dual Role of An Active Site Histidine in Alpha-Amino- Beta-Carboxymuconate-Epsilon-Semialdehyde Decarboxylase

The structure of Evidence For A Dual Role of An Active Site Histidine in Alpha-Amino- Beta-Carboxymuconate-Epsilon-Semialdehyde Decarboxylase, PDB code: 4era was solved by L.Huo, A.J.Fielding, Y.Chen, T.Li, H.Iwaki, J.P.Hosler, L.Chen, Y.Hasegawa, L.Que Jr., A.Liu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	83.66 / 2.40
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	90.033, 90.033, 167.314, 90.00, 90.00, 90.00
R / Rfree (%)	21.5 / 29.6

The binding sites of Cobalt atom in the Evidence For A Dual Role of An Active Site Histidine in Alpha-Amino- Beta-Carboxymuconate-Epsilon-Semialdehyde Decarboxylase (pdb code 4era). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 2 binding sites of Cobalt where determined in the Evidence For A Dual Role of An Active Site Histidine in Alpha-Amino- Beta-Carboxymuconate-Epsilon-Semialdehyde Decarboxylase, PDB code: 4era:
Jump to Cobalt binding site number: 1; 2;

Cobalt binding site 1 out of 2 in the Evidence For A Dual Role of An Active Site Histidine in Alpha-Amino- Beta-Carboxymuconate-Epsilon-Semialdehyde Decarboxylase


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of Evidence For A Dual Role of An Active Site Histidine in Alpha-Amino- Beta-Carboxymuconate-Epsilon-Semialdehyde Decarboxylase within 5.0Å range: probe atom residue distance (Å) B Occ A:Co501 b:45.6 occ:1.00 NE2 A:HIS11 1.9 44.9 1.0 OH A:TYR228 2.1 45.0 1.0 NE2 A:HIS9 2.1 33.5 1.0 NE2 A:HIS177 2.2 38.5 1.0 OD2 A:ASP294 2.4 48.1 1.0 CE1 A:HIS11 2.9 43.0 1.0 CD2 A:HIS11 2.9 46.9 1.0 CD2 A:HIS177 3.0 36.7 1.0 CG A:ASP294 3.1 43.6 1.0 CE1 A:HIS9 3.1 32.4 1.0 CD2 A:HIS9 3.1 34.3 1.0 CZ A:TYR228 3.2 43.4 1.0 CE1 A:HIS177 3.2 35.2 1.0 OD1 A:ASP294 3.3 42.5 1.0 CE2 A:TYR228 4.0 43.7 1.0 CE1 A:TYR228 4.1 43.0 1.0 ND1 A:HIS11 4.1 48.3 1.0 CG A:HIS11 4.1 43.5 1.0 ND1 A:HIS9 4.2 33.5 1.0 CG A:HIS177 4.3 38.2 1.0 CG A:HIS9 4.3 36.6 1.0 ND1 A:HIS177 4.3 42.3 1.0 CB A:ASP294 4.3 43.5 1.0 CA A:ASP294 4.7 43.0 1.0 CH2 A:TRP194 5.0 0.3 1.0

Cobalt binding site 2 out of 2 in the Evidence For A Dual Role of An Active Site Histidine in Alpha-Amino- Beta-Carboxymuconate-Epsilon-Semialdehyde Decarboxylase


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of Evidence For A Dual Role of An Active Site Histidine in Alpha-Amino- Beta-Carboxymuconate-Epsilon-Semialdehyde Decarboxylase within 5.0Å range: probe atom residue distance (Å) B Occ B:Co401 b:46.7 occ:1.00 OD1 B:ASP294 2.0 48.5 1.0 NE2 B:HIS9 2.0 44.5 1.0 NE2 B:HIS11 2.1 48.8 1.0 NE2 B:HIS177 2.1 39.5 1.0 OH B:TYR228 2.3 38.7 1.0 CE1 B:HIS9 2.9 41.8 1.0 CG B:ASP294 3.0 46.3 1.0 CD2 B:HIS11 3.0 49.7 1.0 CE1 B:HIS177 3.1 43.2 1.0 CD2 B:HIS9 3.1 47.2 1.0 CD2 B:HIS177 3.1 38.8 1.0 CE1 B:HIS11 3.1 47.6 1.0 CZ B:TYR228 3.3 45.0 1.0 OD2 B:ASP294 3.4 52.2 1.0 CE2 B:TYR228 4.0 41.3 1.0 ND1 B:HIS9 4.1 43.6 1.0 CG B:HIS9 4.2 46.4 1.0 ND1 B:HIS177 4.2 45.6 1.0 CG B:HIS11 4.2 45.6 1.0 ND1 B:HIS11 4.2 41.4 1.0 CE1 B:TYR228 4.3 44.5 1.0 CG B:HIS177 4.3 43.8 1.0 CB B:ASP294 4.3 44.2 1.0 CA B:ASP294 4.7 45.6 1.0 CH2 B:TRP194 5.0 59.1 1.0

L.Huo, A.J.Fielding, Y.Chen, T.Li, H.Iwaki, J.P.Hosler, L.Chen, Y.Hasegawa, L.Que, A.Liu. Evidence For A Dual Role of An Active Site Histidine in Alpha-Amino-Beta-Carboxymuconate-Epsilon-Semialdehyde Decarboxylase Biochemistry V. 51 5811 2012.
ISSN: ISSN 0006-2960
PubMed: 22746257
DOI: 10.1021/BI300635B