Iron in PDB 2ivf: Ethylbenzene Dehydrogenase From Aromatoleum Aromaticum

All present enzymatic activity of Ethylbenzene Dehydrogenase From Aromatoleum Aromaticum:
1.17.99.2;

The structure of Ethylbenzene Dehydrogenase From Aromatoleum Aromaticum, PDB code: 2ivf was solved by D.P.Kloer, C.Hagel, J.Heider, G.E.Schulz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.42 / 1.88
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	112.532, 67.324, 114.765, 90.00, 111.30, 90.00
R / Rfree (%)	14.8 / 18.3

The structure of Ethylbenzene Dehydrogenase From Aromatoleum Aromaticum also contains other interesting chemical elements:

Molybdenum

(Mo)

1 atom

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20;

Binding sites:

The binding sites of Iron atom in the Ethylbenzene Dehydrogenase From Aromatoleum Aromaticum (pdb code 2ivf). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 20 binding sites of Iron where determined in the Ethylbenzene Dehydrogenase From Aromatoleum Aromaticum, PDB code: 2ivf:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 20 in the Ethylbenzene Dehydrogenase From Aromatoleum Aromaticum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Ethylbenzene Dehydrogenase From Aromatoleum Aromaticum within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1984 b:26.1 occ:1.00 FE1 A:SF41984 0.0 26.1 1.0 S2 A:SF41984 2.3 23.4 1.0 S3 A:SF41984 2.3 24.8 1.0 SG A:CYS127 2.3 23.5 1.0 S4 A:SF41984 2.3 26.1 1.0 FE2 A:SF41984 2.7 25.3 1.0 FE3 A:SF41984 2.7 24.9 1.0 FE4 A:SF41984 2.7 25.2 1.0 CB A:CYS127 3.3 23.4 1.0 N A:CYS127 3.8 23.4 1.0 S1 A:SF41984 3.9 26.6 1.0 CA A:CYS127 4.1 23.6 1.0 N A:GLY130 4.1 23.9 1.0 O A:HOH2036 4.2 17.2 1.0 CA A:GLY130 4.3 23.3 1.0 C A:GLY126 4.4 24.0 1.0 ND1 A:HIS82 4.5 25.1 1.0 C A:CYS127 4.6 23.7 1.0 SG A:CYS92 4.7 22.7 1.0 O A:CYS127 4.8 22.2 1.0 SG A:CYS86 4.8 23.8 1.0 CA A:GLY126 4.9 23.8 1.0 O A:GLY126 4.9 23.6 1.0 CD1 A:ILE854 5.0 22.4 1.0

Iron binding site 2 out of 20 in the Ethylbenzene Dehydrogenase From Aromatoleum Aromaticum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Ethylbenzene Dehydrogenase From Aromatoleum Aromaticum within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1984 b:25.3 occ:1.00 FE2 A:SF41984 0.0 25.3 1.0 SG A:CYS92 2.2 22.7 1.0 S3 A:SF41984 2.2 24.8 1.0 S4 A:SF41984 2.3 26.1 1.0 S1 A:SF41984 2.4 26.6 1.0 FE3 A:SF41984 2.7 24.9 1.0 FE4 A:SF41984 2.7 25.2 1.0 FE1 A:SF41984 2.7 26.1 1.0 CB A:CYS92 3.1 20.9 1.0 S2 A:SF41984 3.9 23.4 1.0 CA A:GLY90 4.0 23.4 1.0 N A:CYS92 4.1 22.0 1.0 CA A:GLY126 4.1 23.8 1.0 CA A:CYS92 4.2 22.0 1.0 C A:GLY90 4.4 23.1 1.0 N A:GLY126 4.4 23.7 1.0 C A:GLY126 4.4 24.0 1.0 ND1 A:HIS82 4.5 25.1 1.0 N A:CYS127 4.6 23.4 1.0 N A:SER91 4.6 24.0 1.0 SG A:CYS86 4.7 23.8 1.0 N A:GLY90 4.7 24.2 1.0 CE1 A:PHE94 4.8 24.4 1.0 SG A:CYS127 4.8 23.5 1.0 CB A:SER263 4.8 23.6 1.0 O A:GLY90 4.9 21.6 1.0 O A:GLY126 5.0 23.6 1.0 O A:HOH2094 5.0 15.7 1.0

Iron binding site 3 out of 20 in the Ethylbenzene Dehydrogenase From Aromatoleum Aromaticum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Ethylbenzene Dehydrogenase From Aromatoleum Aromaticum within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1984 b:24.9 occ:1.00 FE3 A:SF41984 0.0 24.9 1.0 ND1 A:HIS82 2.2 25.1 1.0 S2 A:SF41984 2.3 23.4 1.0 S4 A:SF41984 2.3 26.1 1.0 S1 A:SF41984 2.3 26.6 1.0 FE2 A:SF41984 2.7 25.3 1.0 FE1 A:SF41984 2.7 26.1 1.0 FE4 A:SF41984 2.7 25.2 1.0 CG A:HIS82 3.1 23.2 1.0 CE1 A:HIS82 3.2 23.2 1.0 CB A:HIS82 3.4 22.5 1.0 S3 A:SF41984 3.9 24.8 1.0 CA A:GLY130 4.0 23.3 1.0 CD2 A:HIS82 4.2 25.8 1.0 NE2 A:HIS82 4.2 24.5 1.0 N A:HIS82 4.3 23.1 1.0 CA A:HIS82 4.4 23.4 1.0 O A:HOH2014 4.5 18.6 1.0 SG A:CYS92 4.6 22.7 1.0 ND2 A:ASN84 4.6 24.7 1.0 N A:GLY130 4.7 23.9 1.0 CB A:CYS92 4.7 20.9 1.0 SG A:CYS127 4.8 23.5 1.0 OG A:SER81 4.8 23.7 1.0 CE1 A:PHE94 4.8 24.4 1.0 SG A:CYS86 4.8 23.8 1.0 O A:HIS82 4.9 25.8 1.0

Iron binding site 4 out of 20 in the Ethylbenzene Dehydrogenase From Aromatoleum Aromaticum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Ethylbenzene Dehydrogenase From Aromatoleum Aromaticum within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1984 b:25.2 occ:1.00 FE4 A:SF41984 0.0 25.2 1.0 S1 A:SF41984 2.3 26.6 1.0 SG A:CYS86 2.3 23.8 1.0 S3 A:SF41984 2.3 24.8 1.0 S2 A:SF41984 2.4 23.4 1.0 FE2 A:SF41984 2.7 25.3 1.0 FE1 A:SF41984 2.7 26.1 1.0 FE3 A:SF41984 2.7 24.9 1.0 CB A:CYS86 3.4 21.8 1.0 S4 A:SF41984 3.9 26.1 1.0 ND2 A:ASN84 4.1 24.7 1.0 N A:GLY90 4.1 24.2 1.0 CA A:GLY90 4.3 23.4 1.0 NE2 A:GLN89 4.5 26.7 1.0 SG A:CYS92 4.7 22.7 1.0 CA A:CYS86 4.7 21.8 1.0 SG A:CYS127 4.8 23.5 1.0 ND1 A:HIS82 4.8 25.1 1.0 CD1 A:ILE854 4.9 22.4 1.0 N A:CYS86 4.9 23.1 1.0 CB A:HIS82 5.0 22.5 1.0 O A:HOH2491 5.0 19.9 1.0 CG1 A:ILE854 5.0 25.8 1.0

Iron binding site 5 out of 20 in the Ethylbenzene Dehydrogenase From Aromatoleum Aromaticum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Ethylbenzene Dehydrogenase From Aromatoleum Aromaticum within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1356 b:21.4 occ:1.00 FE1 B:F3S1356 0.0 21.4 1.0 S3 B:F3S1356 2.2 22.9 1.0 S1 B:F3S1356 2.2 22.5 1.0 S2 B:F3S1356 2.2 20.7 1.0 SG B:CYS184 2.3 22.1 1.0 FE3 B:F3S1356 2.7 21.4 1.0 FE4 B:F3S1356 2.7 21.3 1.0 CB B:CYS184 3.5 24.6 1.0 N B:GLY186 3.7 20.6 1.0 CA B:CYS184 3.8 24.5 1.0 N B:LYS185 3.9 23.2 1.0 S4 B:F3S1356 3.9 22.0 1.0 CA B:GLY186 4.2 20.1 1.0 N B:HIS187 4.2 19.1 1.0 C B:CYS184 4.2 23.8 1.0 CG1 B:VAL179 4.6 25.1 1.0 C B:GLY186 4.6 20.0 1.0 CB B:ALA167 4.7 20.1 1.0 SG B:CYS163 4.7 21.9 1.0 SG B:CYS190 4.7 20.8 1.0 C B:LYS185 4.7 21.7 1.0 N B:SER208 4.7 23.5 1.0 CB B:SER208 4.8 23.9 1.0 N B:ARG188 4.8 19.3 1.0 CA B:LYS185 4.9 22.1 1.0 OG B:SER208 4.9 23.4 1.0

Iron binding site 6 out of 20 in the Ethylbenzene Dehydrogenase From Aromatoleum Aromaticum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Ethylbenzene Dehydrogenase From Aromatoleum Aromaticum within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1356 b:21.4 occ:1.00 FE3 B:F3S1356 0.0 21.4 1.0 S3 B:F3S1356 2.2 22.9 1.0 S4 B:F3S1356 2.2 22.0 1.0 S1 B:F3S1356 2.2 22.5 1.0 SG B:CYS163 2.3 21.9 1.0 FE4 B:F3S1356 2.6 21.3 1.0 FE1 B:F3S1356 2.7 21.4 1.0 CB B:CYS163 3.1 22.5 1.0 OG1 B:THR165 3.8 29.2 1.0 S2 B:F3S1356 3.8 20.7 1.0 CA B:CYS163 3.9 22.6 1.0 CB B:ALA167 4.4 20.1 1.0 CD B:PRO164 4.5 22.4 1.0 SG B:CYS190 4.6 20.8 1.0 C B:CYS163 4.7 22.4 1.0 CB B:HIS187 4.7 17.9 1.0 SG B:CYS184 4.9 22.1 1.0 N B:PRO164 4.9 22.8 1.0 CB B:CYS190 5.0 19.7 1.0 CB B:THR165 5.0 24.4 1.0 CG2 B:THR165 5.0 25.4 1.0

Iron binding site 7 out of 20 in the Ethylbenzene Dehydrogenase From Aromatoleum Aromaticum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Ethylbenzene Dehydrogenase From Aromatoleum Aromaticum within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1356 b:21.3 occ:1.00 FE4 B:F3S1356 0.0 21.3 1.0 S3 B:F3S1356 2.2 22.9 1.0 S4 B:F3S1356 2.2 22.0 1.0 S2 B:F3S1356 2.2 20.7 1.0 SG B:CYS190 2.2 20.8 1.0 FE3 B:F3S1356 2.6 21.4 1.0 FE1 B:F3S1356 2.7 21.4 1.0 CB B:CYS190 3.3 19.7 1.0 S1 B:F3S1356 3.8 22.5 1.0 N B:ARG188 3.8 19.3 1.0 N B:CYS190 3.9 20.1 1.0 CA B:ARG188 4.1 19.7 1.0 CA B:CYS190 4.2 20.7 1.0 N B:HIS189 4.4 19.9 1.0 OG B:SER208 4.5 23.4 1.0 CB B:CYS163 4.6 22.5 1.0 SG B:CYS163 4.6 21.9 1.0 CD1 B:ILE168 4.6 24.8 1.0 CB B:SER208 4.6 23.9 1.0 C B:ARG188 4.6 19.5 1.0 SG B:CYS184 4.7 22.1 1.0 N B:HIS187 4.8 19.1 1.0 C B:HIS187 4.9 18.4 1.0 N B:VAL191 5.0 22.1 1.0

Iron binding site 8 out of 20 in the Ethylbenzene Dehydrogenase From Aromatoleum Aromaticum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Ethylbenzene Dehydrogenase From Aromatoleum Aromaticum within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1357 b:22.8 occ:1.00 FE1 B:SF41357 0.0 22.8 1.0 S2 B:SF41357 2.3 23.9 1.0 S3 B:SF41357 2.3 21.5 1.0 S4 B:SF41357 2.3 22.7 1.0 SG B:CYS194 2.4 23.5 1.0 FE2 B:SF41357 2.6 23.9 1.0 FE3 B:SF41357 2.7 22.8 1.0 FE4 B:SF41357 2.7 24.2 1.0 CB B:CYS194 3.2 21.1 1.0 S1 B:SF41357 3.8 23.9 1.0 CA B:CYS194 4.0 22.1 1.0 CB B:ALA198 4.1 22.9 1.0 CD2 B:TYR196 4.4 23.1 1.0 SG B:CYS159 4.6 21.8 1.0 CB B:TYR196 4.6 22.3 1.0 N B:ALA198 4.7 23.6 1.0 C B:CYS194 4.7 23.0 1.0 CB B:CYS159 4.7 23.3 1.0 CD B:PRO195 4.8 23.2 1.0 SG B:CYS154 4.8 23.4 1.0 CA B:ALA198 4.9 23.7 1.0 CG1 B:ILE199 4.9 26.3 1.0 N B:TYR196 4.9 22.6 1.0 SG B:CYS151 4.9 22.6 1.0 CG B:TYR196 5.0 21.5 1.0

Iron binding site 9 out of 20 in the Ethylbenzene Dehydrogenase From Aromatoleum Aromaticum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Ethylbenzene Dehydrogenase From Aromatoleum Aromaticum within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1357 b:22.8 occ:1.00 FE3 B:SF41357 0.0 22.8 1.0 S2 B:SF41357 2.3 23.9 1.0 SG B:CYS154 2.3 23.4 1.0 S1 B:SF41357 2.3 23.9 1.0 S4 B:SF41357 2.3 22.7 1.0 FE1 B:SF41357 2.7 22.8 1.0 FE4 B:SF41357 2.7 24.2 1.0 FE2 B:SF41357 2.7 23.9 1.0 CB B:CYS154 3.3 22.6 1.0 S3 B:SF41357 3.9 21.5 1.0 N B:CYS154 3.9 24.1 1.0 CA B:CYS154 4.2 22.7 1.0 N B:HIS153 4.5 23.9 1.0 CB B:PRO157 4.6 22.6 1.0 CA B:PRO157 4.6 22.9 1.0 SG B:CYS151 4.6 22.6 1.0 CD2 B:TYR196 4.6 23.1 1.0 OG1 B:THR266 4.6 24.6 1.0 CB B:ASN152 4.7 23.1 1.0 N B:ASN152 4.7 24.8 1.0 SG B:CYS159 4.8 21.8 1.0 CB B:THR266 4.8 23.2 1.0 SG B:CYS194 4.9 23.5 1.0 CE2 B:TYR196 4.9 23.8 1.0 C B:ASN152 4.9 23.9 1.0 CA B:ASN152 5.0 24.0 1.0

Iron binding site 10 out of 20 in the Ethylbenzene Dehydrogenase From Aromatoleum Aromaticum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Ethylbenzene Dehydrogenase From Aromatoleum Aromaticum within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1357 b:24.2 occ:1.00 FE4 B:SF41357 0.0 24.2 1.0 S3 B:SF41357 2.3 21.5 1.0 SG B:CYS151 2.3 22.6 1.0 S2 B:SF41357 2.3 23.9 1.0 S1 B:SF41357 2.3 23.9 1.0 FE1 B:SF41357 2.7 22.8 1.0 FE3 B:SF41357 2.7 22.8 1.0 FE2 B:SF41357 2.8 23.9 1.0 CB B:CYS151 3.4 22.2 1.0 N B:ASN152 3.8 24.8 1.0 CA B:CYS151 3.9 23.7 1.0 S4 B:SF41357 4.0 22.7 1.0 CE B:LYS210 4.0 22.0 1.0 N B:HIS153 4.1 23.9 1.0 CB B:ALA198 4.2 22.9 1.0 C B:CYS151 4.3 23.9 1.0 NZ B:LYS210 4.5 21.4 1.0 SG B:CYS154 4.6 23.4 1.0 SG B:CYS159 4.7 21.8 1.0 SG B:CYS194 4.8 23.5 1.0 CA B:HIS153 4.8 23.6 1.0 CA B:ASN152 4.8 24.0 1.0 C B:ASN152 4.9 23.9 1.0 N B:CYS154 5.0 24.1 1.0

D.P.Kloer, C.Hagel, J.Heider, G.E.Schulz. Crystal Structure of Ethylbenzene Dehydrogenase From Aromatoleum Aromaticum Structure V. 14 1377 2006.
ISSN: ISSN 0969-2126
PubMed: 16962969
DOI: 10.1016/J.STR.2006.07.001