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

Protein crystallography data

The structure of Evidence For A Dual Role of An Active Site Histidine in Alpha-Amino- Beta-Carboxymuconate-Epsilon-Semialdehyde Decarboxylase, PDB code: 4erg 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) 83.77 / 2.79
Space group P 42 21 2
Cell size a, b, c (Å), α, β, γ (°) 90.425, 90.425, 167.532, 90.00, 90.00, 90.00
R / Rfree (%) 19.9 / 27.3

Iron Binding Sites:

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

Iron binding site 1 out of 2 in 4erg

Go back to Iron Binding Sites List in 4erg
Iron 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 Iron with other atoms in the Fe 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:Fe501

b:68.0
occ:1.00
NE2 A:HIS11 2.0 58.5 1.0
OH A:TYR228 2.1 69.2 1.0
NE2 A:HIS177 2.3 65.5 1.0
OD2 A:ASP294 2.4 81.5 1.0
NE2 A:HIS9 2.4 61.0 1.0
CD2 A:HIS11 2.9 59.1 1.0
CE1 A:HIS11 3.0 56.4 1.0
CG A:ASP294 3.2 66.4 1.0
CD2 A:HIS177 3.2 64.4 1.0
CE1 A:HIS177 3.2 56.8 1.0
CZ A:TYR228 3.3 65.9 1.0
CD2 A:HIS9 3.3 66.0 1.0
CE1 A:HIS9 3.3 59.8 1.0
OD1 A:ASP294 3.5 72.2 1.0
CE2 A:TYR228 4.0 55.4 1.0
CG A:HIS11 4.1 60.8 1.0
ND1 A:HIS11 4.1 61.7 1.0
CE1 A:TYR228 4.2 65.1 1.0
CB A:ASP294 4.3 65.4 1.0
ND1 A:HIS177 4.4 53.4 1.0
CG A:HIS177 4.4 56.3 1.0
ND1 A:HIS9 4.5 63.6 1.0
CG A:HIS9 4.5 62.8 1.0
CA A:ASP294 4.7 58.5 1.0
CD1 A:PHE297 4.7 69.7 1.0
CE1 A:PHE297 4.8 65.1 1.0

Iron binding site 2 out of 2 in 4erg

Go back to Iron Binding Sites List in 4erg
Iron 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 Iron with other atoms in the Fe 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:Fe401

b:70.9
occ:1.00
NE2 B:HIS11 2.1 67.3 1.0
OH B:TYR228 2.2 65.2 1.0
OD1 B:ASP294 2.2 86.6 1.0
NE2 B:HIS9 2.3 62.4 1.0
NE2 B:HIS177 2.3 78.3 1.0
CD2 B:HIS11 3.0 72.0 1.0
CG B:ASP294 3.0 80.7 1.0
CE1 B:HIS9 3.1 66.3 1.0
CE1 B:HIS11 3.2 77.0 1.0
CD2 B:HIS177 3.2 73.6 1.0
CZ B:TYR228 3.3 69.9 1.0
CE1 B:HIS177 3.4 81.4 1.0
CD2 B:HIS9 3.4 71.8 1.0
OD2 B:ASP294 3.5 82.7 1.0
CE2 B:TYR228 3.8 67.5 1.0
CB B:ASP294 4.2 77.3 1.0
CG B:HIS11 4.2 63.4 1.0
ND1 B:HIS11 4.2 63.9 1.0
ND1 B:HIS9 4.3 66.6 1.0
CE1 B:TYR228 4.3 64.1 1.0
CG B:HIS177 4.4 82.9 1.0
CG B:HIS9 4.5 63.9 1.0
ND1 B:HIS177 4.5 90.6 1.0
CA B:ASP294 4.7 78.7 1.0
CH2 B:TRP194 4.8 0.1 1.0
CZ2 B:TRP194 4.8 0.1 1.0
CD1 B:PHE297 4.9 0.8 1.0

Reference:

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
Page generated: Sun Dec 13 15:33:17 2020

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