Zinc in PDB 4epk: 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: 4epk 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)	32.35 / 2.60
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	91.504, 91.504, 170.123, 90.00, 90.00, 90.00
R / Rfree (%)	20.8 / 28.1

The structure of Evidence For A Dual Role of An Active Site Histidine in Alpha-Amino- Beta-Carboxymuconate-Epsilon-Semialdehyde Decarboxylase also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

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

Zinc 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 Zinc with other atoms in the Zn 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:Zn401 b:49.3 occ:1.00 NE2 A:HIS11 2.2 44.7 1.0 NE2 A:HIS9 2.3 48.7 1.0 NE2 A:HIS177 2.3 46.1 1.0 OD1 A:ASP294 2.9 58.5 1.0 OD2 A:ASP294 3.0 68.6 1.0 CD2 A:HIS11 3.1 49.0 1.0 CG A:ASP294 3.1 65.1 1.0 CD2 A:HIS177 3.2 44.5 1.0 CE1 A:HIS11 3.2 48.7 1.0 CE1 A:HIS9 3.3 50.2 1.0 CD2 A:HIS9 3.3 48.2 1.0 CE1 A:HIS177 3.4 37.7 1.0 CB A:ASP294 4.3 57.0 1.0 CG A:HIS11 4.3 44.8 1.0 ND1 A:HIS11 4.3 49.7 1.0 ND1 A:HIS9 4.4 59.0 1.0 CG A:HIS177 4.4 43.2 1.0 CG A:HIS9 4.4 57.8 1.0 ND1 A:HIS177 4.4 45.2 1.0 CA A:ASP294 4.6 52.4 1.0

Zinc 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 Zinc with other atoms in the Zn 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:Zn401 b:64.0 occ:1.00 NE2 B:HIS177 2.3 63.8 1.0 NE2 B:HIS11 2.3 54.2 1.0 NE2 B:HIS9 2.4 60.1 1.0 OD2 B:ASP294 2.5 72.0 1.0 CD2 B:HIS177 3.1 65.3 1.0 CE1 B:HIS9 3.2 62.8 1.0 CG B:ASP294 3.2 65.3 1.0 CE1 B:HIS11 3.2 67.3 1.0 CD2 B:HIS11 3.2 66.1 1.0 CE1 B:HIS177 3.3 72.1 1.0 OD1 B:ASP294 3.5 73.7 1.0 CD2 B:HIS9 3.5 57.3 1.0 CG B:HIS177 4.3 70.7 1.0 ND1 B:HIS11 4.3 69.7 1.0 ND1 B:HIS9 4.3 62.3 1.0 ND1 B:HIS177 4.4 73.7 1.0 CG B:HIS11 4.4 67.0 1.0 CB B:ASP294 4.4 61.6 1.0 CG B:HIS9 4.5 62.6 1.0 CA B:ASP294 4.8 61.6 1.0 CE1 B:PHE297 4.8 74.2 1.0 CD1 B:PHE297 5.0 76.9 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