Iron in PDB 8grj: Crystal Structure of Gamma-Alpha Subunit Complex From Burkholderia Cepacia Fad Glucose Dehydrogenase in Complex with Gluconolactone

The structure of Crystal Structure of Gamma-Alpha Subunit Complex From Burkholderia Cepacia Fad Glucose Dehydrogenase in Complex with Gluconolactone, PDB code: 8grj was solved by H.Yoshida, K.Kojima, W.Tsugawa, J.Okuda-Shimazaki, J.A.Kerrigan, K.Sode, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.04 / 2.95
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	111.235, 111.235, 527.106, 90, 90, 120
R / Rfree (%)	19.8 / 27

The binding sites of Iron atom in the Crystal Structure of Gamma-Alpha Subunit Complex From Burkholderia Cepacia Fad Glucose Dehydrogenase in Complex with Gluconolactone (pdb code 8grj). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 6 binding sites of Iron where determined in the Crystal Structure of Gamma-Alpha Subunit Complex From Burkholderia Cepacia Fad Glucose Dehydrogenase in Complex with Gluconolactone, PDB code: 8grj:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6;

Iron binding site 1 out of 6 in the Crystal Structure of Gamma-Alpha Subunit Complex From Burkholderia Cepacia Fad Glucose Dehydrogenase in Complex with Gluconolactone


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Gamma-Alpha Subunit Complex From Burkholderia Cepacia Fad Glucose Dehydrogenase in Complex with Gluconolactone within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe702 b:31.0 occ:1.00 FE1 B:F3S702 0.0 31.0 1.0 S3 B:F3S702 2.1 29.4 1.0 S2 B:F3S702 2.2 30.4 1.0 S1 B:F3S702 2.2 30.3 1.0 SG B:CYS212 2.3 26.6 1.0 FE4 B:F3S702 2.8 30.4 1.0 FE3 B:F3S702 2.9 37.0 1.0 CB B:CYS212 3.5 25.2 1.0 N B:GLY214 3.8 27.3 1.0 CA B:CYS212 3.9 25.7 1.0 S4 B:F3S702 4.0 26.2 1.0 N B:CYS213 4.1 29.2 1.0 N B:ASN215 4.1 30.4 1.0 CA B:GLY214 4.2 29.7 1.0 C B:CYS212 4.3 27.2 1.0 CG B:PRO339 4.5 25.6 1.0 CD B:ARG201 4.5 26.6 1.0 C B:GLY214 4.7 29.6 1.0 SG B:CYS222 4.7 44.0 1.0 NE B:ARG201 4.7 26.1 1.0 SG B:CYS218 4.8 30.8 1.0 CB B:ALA226 4.8 30.9 1.0 CB B:ASN215 4.8 31.3 1.0 C B:CYS213 4.9 28.4 1.0

Iron binding site 2 out of 6 in the Crystal Structure of Gamma-Alpha Subunit Complex From Burkholderia Cepacia Fad Glucose Dehydrogenase in Complex with Gluconolactone


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Gamma-Alpha Subunit Complex From Burkholderia Cepacia Fad Glucose Dehydrogenase in Complex with Gluconolactone within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe702 b:37.0 occ:1.00 FE3 B:F3S702 0.0 37.0 1.0 S4 B:F3S702 2.2 26.2 1.0 S1 B:F3S702 2.2 30.3 1.0 S3 B:F3S702 2.2 29.4 1.0 SG B:CYS222 2.2 44.0 1.0 FE1 B:F3S702 2.9 31.0 1.0 FE4 B:F3S702 2.9 30.4 1.0 CB B:CYS222 3.6 36.5 1.0 CB B:ASN215 3.9 31.3 1.0 OD1 B:ASN215 4.0 32.0 1.0 S2 B:F3S702 4.0 30.4 1.0 CA B:CYS222 4.1 32.0 1.0 CB B:ALA226 4.4 30.9 1.0 CG B:ASN215 4.4 32.9 1.0 CG1 B:ILE224 4.7 26.0 1.0 CD1 B:ILE224 4.7 26.0 1.0 CD B:PRO223 4.8 27.7 1.0 N B:ASN215 4.8 30.4 1.0 CG B:MET227 4.9 26.7 1.0 CA B:ASN215 4.9 31.0 1.0 SG B:CYS212 5.0 26.6 1.0

Iron binding site 3 out of 6 in the Crystal Structure of Gamma-Alpha Subunit Complex From Burkholderia Cepacia Fad Glucose Dehydrogenase in Complex with Gluconolactone


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of Gamma-Alpha Subunit Complex From Burkholderia Cepacia Fad Glucose Dehydrogenase in Complex with Gluconolactone within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe702 b:30.4 occ:1.00 FE4 B:F3S702 0.0 30.4 1.0 S3 B:F3S702 2.2 29.4 1.0 S2 B:F3S702 2.2 30.4 1.0 S4 B:F3S702 2.2 26.2 1.0 SG B:CYS218 2.3 30.8 1.0 FE1 B:F3S702 2.8 31.0 1.0 FE3 B:F3S702 2.9 37.0 1.0 CB B:CYS218 3.5 31.0 1.0 N B:CYS218 3.6 29.1 1.0 CA B:CYS218 3.6 30.1 1.0 SG B:CYS222 4.0 44.0 1.0 S1 B:F3S702 4.1 30.3 1.0 N B:ASN217 4.1 25.9 1.0 N B:ASN216 4.4 29.2 1.0 SD B:MET227 4.4 27.0 1.0 NE B:ARG201 4.5 26.1 1.0 C B:ASN217 4.5 28.4 1.0 CA B:PRO339 4.7 25.3 1.0 CB B:ASN215 4.7 31.3 1.0 CA B:ASN216 4.8 25.7 1.0 C B:ASN216 4.8 25.7 1.0 SG B:CYS212 4.8 26.6 1.0 CB B:PRO339 4.9 25.2 1.0 CA B:ASN217 4.9 28.4 1.0 NH2 B:ARG201 4.9 25.8 1.0 N B:ASN215 5.0 30.4 1.0 CZ B:ARG201 5.0 26.3 1.0

Iron binding site 4 out of 6 in the Crystal Structure of Gamma-Alpha Subunit Complex From Burkholderia Cepacia Fad Glucose Dehydrogenase in Complex with Gluconolactone


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of Gamma-Alpha Subunit Complex From Burkholderia Cepacia Fad Glucose Dehydrogenase in Complex with Gluconolactone within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe702 b:26.7 occ:1.00 FE1 D:F3S702 0.0 26.7 1.0 S2 D:F3S702 2.2 25.6 1.0 S3 D:F3S702 2.2 23.4 1.0 S1 D:F3S702 2.2 27.7 1.0 SG D:CYS212 2.3 23.0 1.0 FE4 D:F3S702 2.8 26.5 1.0 FE3 D:F3S702 3.0 29.5 1.0 CB D:CYS212 3.3 21.2 1.0 CA D:CYS212 3.6 21.1 1.0 N D:CYS213 3.9 22.8 1.0 N D:GLY214 3.9 26.8 1.0 S4 D:F3S702 4.0 28.2 1.0 C D:CYS212 4.1 21.1 1.0 CB D:ALA226 4.3 18.5 1.0 N D:ASN215 4.5 25.6 1.0 CA D:GLY214 4.5 26.3 1.0 NE D:ARG201 4.6 23.9 1.0 CD D:ARG201 4.7 22.4 1.0 SG D:CYS218 4.7 26.6 1.0 C D:CYS213 4.9 27.0 1.0

Iron binding site 5 out of 6 in the Crystal Structure of Gamma-Alpha Subunit Complex From Burkholderia Cepacia Fad Glucose Dehydrogenase in Complex with Gluconolactone


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Crystal Structure of Gamma-Alpha Subunit Complex From Burkholderia Cepacia Fad Glucose Dehydrogenase in Complex with Gluconolactone within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe702 b:29.5 occ:1.00 FE3 D:F3S702 0.0 29.5 1.0 S4 D:F3S702 2.2 28.2 1.0 S3 D:F3S702 2.2 23.4 1.0 S1 D:F3S702 2.2 27.7 1.0 SG D:CYS222 2.3 27.4 1.0 FE4 D:F3S702 2.8 26.5 1.0 FE1 D:F3S702 3.0 26.7 1.0 CB D:CYS222 3.1 26.4 1.0 CA D:CYS222 3.7 24.6 1.0 CB D:ALA226 4.1 18.5 1.0 S2 D:F3S702 4.2 25.6 1.0 CD D:PRO223 4.2 21.3 1.0 CG D:MET227 4.4 21.3 1.0 CB D:ASN215 4.4 24.6 1.0 OD1 D:ASN215 4.5 25.6 1.0 C D:CYS222 4.6 23.7 1.0 SD D:MET227 4.7 21.4 1.0 N D:PRO223 4.7 22.2 1.0 N D:MET227 4.7 20.2 1.0 SG D:CYS218 4.8 26.6 1.0 N D:ALA226 4.8 17.2 1.0 CG D:ASN215 4.9 25.0 1.0 N D:CYS222 4.9 23.7 1.0 CG1 D:ILE224 4.9 14.3 1.0 CA D:ALA226 5.0 18.2 1.0

Iron binding site 6 out of 6 in the Crystal Structure of Gamma-Alpha Subunit Complex From Burkholderia Cepacia Fad Glucose Dehydrogenase in Complex with Gluconolactone


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Crystal Structure of Gamma-Alpha Subunit Complex From Burkholderia Cepacia Fad Glucose Dehydrogenase in Complex with Gluconolactone within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe702 b:26.5 occ:1.00 FE4 D:F3S702 0.0 26.5 1.0 S4 D:F3S702 2.2 28.2 1.0 S2 D:F3S702 2.2 25.6 1.0 S3 D:F3S702 2.2 23.4 1.0 SG D:CYS218 2.3 26.6 1.0 FE1 D:F3S702 2.8 26.7 1.0 FE3 D:F3S702 2.8 29.5 1.0 N D:CYS218 3.6 24.2 1.0 CB D:CYS218 3.7 25.7 1.0 CA D:CYS218 3.8 25.8 1.0 S1 D:F3S702 3.8 27.7 1.0 N D:ASN217 3.9 22.3 1.0 N D:ASN216 4.0 22.4 1.0 C D:ASN217 4.4 22.5 1.0 CA D:ASN216 4.5 21.6 1.0 CB D:ASN215 4.6 24.6 1.0 C D:ASN216 4.6 22.2 1.0 NE D:ARG201 4.7 23.9 1.0 SD D:MET227 4.7 21.4 1.0 SG D:CYS212 4.7 23.0 1.0 CA D:ASN217 4.7 21.9 1.0 CA D:PRO339 4.7 24.1 1.0 C D:ASN215 4.8 24.3 1.0 NH2 D:ARG201 4.8 23.8 1.0 N D:ASN215 4.8 25.6 1.0 SG D:CYS222 4.9 27.4 1.0

H.Yoshida, K.Kojima, W.Tsugawa, J.Okuda-Shimazaki, J.A.Kerrigan, K.Sode. Crystal Structure of Gamma-Alpha Subunit Complex From Burkholderia Cepacia Fad Glucose Dehydrogenase in Complex with Gluconolactone To Be Published.