Iron in PDB 3noy: Crystal Structure of Ispg (Gcpe)

All present enzymatic activity of Crystal Structure of Ispg (Gcpe):
1.17.7.1;

The structure of Crystal Structure of Ispg (Gcpe), PDB code: 3noy was solved by M.Groll, T.Graewert, A.Bacher, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 2.70
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	243.700, 119.010, 63.820, 90.00, 95.48, 90.00
R / Rfree (%)	22.1 / 26.6

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 16;

Binding sites:

The binding sites of Iron atom in the Crystal Structure of Ispg (Gcpe) (pdb code 3noy). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 16 binding sites of Iron where determined in the Crystal Structure of Ispg (Gcpe), PDB code: 3noy:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 16 in the Crystal Structure of Ispg (Gcpe)


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 Ispg (Gcpe) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe900 b:29.0 occ:1.00 FE1 A:SF4900 0.0 29.0 1.0 SG A:CYS268 2.3 26.8 1.0 S3 A:SF4900 2.3 28.1 1.0 S2 A:SF4900 2.3 28.2 1.0 S4 A:SF4900 2.3 28.0 1.0 FE3 A:SF4900 2.7 28.8 1.0 FE4 A:SF4900 2.7 29.0 1.0 FE2 A:SF4900 2.7 28.9 1.0 CB A:CYS268 3.3 26.8 1.0 N A:CYS268 3.6 27.1 1.0 CA A:CYS268 3.8 26.9 1.0 S1 A:SF4900 3.9 28.1 1.0 CD B:PRO147 4.0 22.5 1.0 CB A:ARG270 4.1 27.6 1.0 CG B:PRO147 4.3 22.3 1.0 C A:THR267 4.3 27.6 1.0 C A:CYS268 4.3 26.9 1.0 O A:CYS268 4.4 26.9 1.0 OE2 A:GLU307 4.4 29.6 1.0 N A:ARG270 4.7 27.6 1.0 CG A:ARG270 4.7 27.0 1.0 SG A:CYS300 4.7 27.4 1.0 CA A:THR267 4.8 27.8 1.0 SG A:CYS265 4.9 28.7 1.0 CD A:ARG270 4.9 26.1 1.0 CA A:ARG270 4.9 27.8 1.0 N A:ILE271 4.9 28.9 1.0 O A:THR267 5.0 27.6 1.0

Iron binding site 2 out of 16 in the Crystal Structure of Ispg (Gcpe)


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 Ispg (Gcpe) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe900 b:28.9 occ:1.00 FE2 A:SF4900 0.0 28.9 1.0 S4 A:SF4900 2.3 28.0 1.0 S1 A:SF4900 2.3 28.1 1.0 S3 A:SF4900 2.3 28.1 1.0 SG A:CYS265 2.3 28.7 1.0 FE4 A:SF4900 2.7 29.0 1.0 FE3 A:SF4900 2.7 28.8 1.0 FE1 A:SF4900 2.7 29.0 1.0 CB A:CYS265 3.2 29.5 1.0 N A:GLY299 3.8 25.1 1.0 S2 A:SF4900 3.9 28.2 1.0 CA A:GLY299 4.1 25.4 1.0 CA A:THR267 4.2 27.8 1.0 OE2 A:GLU307 4.2 29.6 1.0 CB A:THR267 4.3 27.9 1.0 N A:CYS268 4.4 27.1 1.0 N A:CYS300 4.4 26.2 1.0 CA A:CYS265 4.6 29.6 1.0 C A:THR267 4.6 27.6 1.0 C A:GLY299 4.7 25.8 1.0 CD A:PRO266 4.8 28.9 1.0 C A:CYS265 4.8 29.3 1.0 N A:PRO266 4.8 28.9 1.0 SG A:CYS300 4.8 27.4 1.0 OE1 A:GLU307 4.9 29.7 1.0 SG A:CYS268 4.9 26.8 1.0 C A:MET298 4.9 24.8 1.0 CD A:GLU307 4.9 29.9 1.0 CG2 A:THR267 5.0 27.8 1.0

Iron binding site 3 out of 16 in the Crystal Structure of Ispg (Gcpe)


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 Ispg (Gcpe) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe900 b:28.8 occ:1.00 FE3 A:SF4900 0.0 28.8 1.0 SG A:CYS300 2.3 27.4 1.0 S4 A:SF4900 2.3 28.0 1.0 S1 A:SF4900 2.3 28.1 1.0 S2 A:SF4900 2.3 28.2 1.0 FE1 A:SF4900 2.7 29.0 1.0 FE4 A:SF4900 2.7 29.0 1.0 FE2 A:SF4900 2.7 28.9 1.0 CB A:CYS300 3.4 26.9 1.0 N A:CYS300 3.7 26.2 1.0 S3 A:SF4900 3.9 28.1 1.0 CA A:CYS300 4.1 26.8 1.0 OE2 A:GLU307 4.3 29.6 1.0 CB A:ARG270 4.3 27.6 1.0 CB A:ALA304 4.5 30.7 1.0 N A:ALA304 4.6 30.6 1.0 C A:GLY299 4.6 25.8 1.0 SG A:CYS268 4.6 26.8 1.0 CA A:ALA304 4.7 30.6 1.0 C A:CYS300 4.8 27.1 1.0 CD A:ARG270 4.8 26.1 1.0 N A:GLY299 4.9 25.1 1.0 SG A:CYS265 4.9 28.7 1.0 CA A:GLY299 4.9 25.4 1.0 O A:HOH359 5.0 13.4 1.0

Iron binding site 4 out of 16 in the Crystal Structure of Ispg (Gcpe)


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 Ispg (Gcpe) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe900 b:29.0 occ:1.00 FE4 A:SF4900 0.0 29.0 1.0 OE2 A:GLU307 1.8 29.6 1.0 S1 A:SF4900 2.3 28.1 1.0 S3 A:SF4900 2.3 28.1 1.0 S2 A:SF4900 2.3 28.2 1.0 FE2 A:SF4900 2.7 28.9 1.0 FE1 A:SF4900 2.7 29.0 1.0 FE3 A:SF4900 2.7 28.8 1.0 CD A:GLU307 2.9 29.9 1.0 OE1 A:GLU307 3.3 29.7 1.0 CD B:PRO147 3.8 22.5 1.0 S4 A:SF4900 3.9 28.0 1.0 CG A:GLU307 4.2 30.5 1.0 CB B:TYR146 4.2 23.3 1.0 CB A:GLU307 4.4 31.0 1.0 CB A:CYS265 4.6 29.5 1.0 SG A:CYS265 4.6 28.7 1.0 CE A:MET298 4.6 23.0 1.0 CG B:PRO147 4.7 22.3 1.0 SG A:CYS268 4.7 26.8 1.0 SG A:CYS300 4.8 27.4 1.0 CA A:ALA304 4.8 30.6 1.0 CD A:PRO266 4.9 28.9 1.0 CA B:TYR146 5.0 23.2 1.0

Iron binding site 5 out of 16 in the Crystal Structure of Ispg (Gcpe)


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 Ispg (Gcpe) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe900 b:25.8 occ:1.00 FE1 B:SF4900 0.0 25.8 1.0 S3 B:SF4900 2.3 25.4 1.0 SG B:CYS268 2.3 23.7 1.0 S4 B:SF4900 2.3 25.4 1.0 S2 B:SF4900 2.3 25.0 1.0 FE4 B:SF4900 2.7 25.7 1.0 FE3 B:SF4900 2.7 26.2 1.0 FE2 B:SF4900 2.7 25.8 1.0 CB B:CYS268 3.2 23.0 1.0 N B:CYS268 3.4 22.9 1.0 CA B:CYS268 3.7 23.0 1.0 S1 B:SF4900 3.9 25.1 1.0 CD A:PRO147 4.1 19.9 1.0 CG A:PRO147 4.2 19.6 1.0 C B:CYS268 4.3 23.0 1.0 C B:THR267 4.3 23.0 1.0 OE2 B:GLU307 4.3 24.8 1.0 O B:CYS268 4.4 23.1 1.0 CB B:ARG270 4.4 23.1 1.0 CA B:THR267 4.8 23.0 1.0 SG B:CYS300 4.8 23.3 1.0 SG B:CYS265 4.8 23.3 1.0 N B:ARG270 4.8 23.4 1.0

Iron binding site 6 out of 16 in the Crystal Structure of Ispg (Gcpe)


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 Ispg (Gcpe) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe900 b:25.8 occ:1.00 FE2 B:SF4900 0.0 25.8 1.0 S4 B:SF4900 2.3 25.4 1.0 S1 B:SF4900 2.3 25.1 1.0 SG B:CYS265 2.3 23.3 1.0 S3 B:SF4900 2.3 25.4 1.0 FE3 B:SF4900 2.7 26.2 1.0 FE4 B:SF4900 2.7 25.7 1.0 FE1 B:SF4900 2.7 25.8 1.0 CB B:CYS265 3.0 23.4 1.0 N B:GLY299 3.6 23.4 1.0 S2 B:SF4900 3.9 25.0 1.0 CA B:GLY299 4.0 23.4 1.0 CA B:THR267 4.3 23.0 1.0 OE2 B:GLU307 4.3 24.8 1.0 N B:CYS268 4.4 22.9 1.0 CA B:CYS265 4.4 23.4 1.0 N B:CYS300 4.4 23.3 1.0 CB B:THR267 4.4 23.1 1.0 C B:GLY299 4.6 23.4 1.0 OE1 B:GLU307 4.6 24.7 1.0 C B:CYS265 4.7 23.3 1.0 CD B:PRO266 4.7 23.2 1.0 N B:PRO266 4.7 23.2 1.0 C B:THR267 4.8 23.0 1.0 C B:MET298 4.8 23.6 1.0 SG B:CYS300 4.9 23.3 1.0 CD B:GLU307 4.9 24.1 1.0 CG2 B:THR267 4.9 23.2 1.0 SG B:CYS268 4.9 23.7 1.0 CE B:MET298 5.0 23.3 1.0

Iron binding site 7 out of 16 in the Crystal Structure of Ispg (Gcpe)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Crystal Structure of Ispg (Gcpe) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe900 b:26.2 occ:1.00 FE3 B:SF4900 0.0 26.2 1.0 S1 B:SF4900 2.3 25.1 1.0 SG B:CYS300 2.3 23.3 1.0 S4 B:SF4900 2.3 25.4 1.0 S2 B:SF4900 2.3 25.0 1.0 FE2 B:SF4900 2.7 25.8 1.0 FE1 B:SF4900 2.7 25.8 1.0 FE4 B:SF4900 2.7 25.7 1.0 CB B:CYS300 3.2 23.2 1.0 N B:CYS300 3.5 23.3 1.0 CA B:CYS300 3.9 23.2 1.0 S3 B:SF4900 3.9 25.4 1.0 C B:GLY299 4.3 23.4 1.0 OE2 B:GLU307 4.3 24.8 1.0 CB B:ARG270 4.4 23.1 1.0 SG B:CYS268 4.5 23.7 1.0 CB B:ALA304 4.5 23.0 1.0 N B:GLY299 4.5 23.4 1.0 CA B:GLY299 4.6 23.4 1.0 C B:CYS300 4.7 23.2 1.0 CA B:ALA304 4.8 23.1 1.0 N B:ALA304 4.8 23.1 1.0 SG B:CYS265 4.8 23.3 1.0 CD B:ARG270 5.0 20.3 1.0

Iron binding site 8 out of 16 in the Crystal Structure of Ispg (Gcpe)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Crystal Structure of Ispg (Gcpe) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe900 b:25.7 occ:1.00 FE4 B:SF4900 0.0 25.7 1.0 OE2 B:GLU307 1.8 24.8 1.0 S2 B:SF4900 2.3 25.0 1.0 S3 B:SF4900 2.3 25.4 1.0 S1 B:SF4900 2.3 25.1 1.0 FE1 B:SF4900 2.7 25.8 1.0 FE2 B:SF4900 2.7 25.8 1.0 FE3 B:SF4900 2.7 26.2 1.0 CD B:GLU307 2.8 24.1 1.0 OE1 B:GLU307 3.1 24.7 1.0 CD A:PRO147 3.8 19.9 1.0 S4 B:SF4900 3.9 25.4 1.0 CG B:GLU307 4.1 23.6 1.0 CB A:TYR146 4.4 21.0 1.0 CB B:CYS265 4.4 23.4 1.0 CE B:MET298 4.4 23.3 1.0 CB B:GLU307 4.4 23.3 1.0 SG B:CYS300 4.6 23.3 1.0 CG A:PRO147 4.6 19.6 1.0 SG B:CYS265 4.7 23.3 1.0 SG B:CYS268 4.7 23.7 1.0 CA B:ALA304 4.8 23.1 1.0 CD B:PRO266 4.9 23.2 1.0

Iron binding site 9 out of 16 in the Crystal Structure of Ispg (Gcpe)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Crystal Structure of Ispg (Gcpe) within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe900 b:31.9 occ:1.00 FE1 C:SF4900 0.0 31.9 1.0 S3 C:SF4900 2.3 31.4 1.0 SG C:CYS268 2.3 32.7 1.0 S2 C:SF4900 2.3 30.8 1.0 S4 C:SF4900 2.3 30.9 1.0 FE4 C:SF4900 2.7 32.3 1.0 FE2 C:SF4900 2.7 31.8 1.0 FE3 C:SF4900 2.7 30.7 1.0 CB C:CYS268 3.1 33.6 1.0 N C:CYS268 3.4 34.1 1.0 CA C:CYS268 3.7 33.6 1.0 S1 C:SF4900 3.9 30.9 1.0 CD D:PRO147 4.0 28.7 1.0 C C:CYS268 4.2 33.4 1.0 CB C:ARG270 4.2 31.3 1.0 CG2 C:THR267 4.3 35.5 1.0 C C:THR267 4.4 34.6 1.0 O C:CYS268 4.4 33.5 1.0 OE2 C:GLU307 4.4 34.8 1.0 CG D:PRO147 4.4 28.7 1.0 N C:ARG270 4.5 31.7 1.0 SG C:CYS300 4.8 27.6 1.0 CG C:ARG270 4.8 30.9 1.0 CA C:ARG270 4.8 31.3 1.0 N C:GLY269 4.8 33.0 1.0 CA C:THR267 4.8 34.8 1.0 SG C:CYS265 4.9 32.2 1.0 CD C:ARG270 5.0 30.4 1.0

Iron binding site 10 out of 16 in the Crystal Structure of Ispg (Gcpe)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Crystal Structure of Ispg (Gcpe) within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe900 b:31.8 occ:1.00 FE2 C:SF4900 0.0 31.8 1.0 S1 C:SF4900 2.3 30.9 1.0 S4 C:SF4900 2.3 30.9 1.0 S3 C:SF4900 2.3 31.4 1.0 SG C:CYS265 2.3 32.2 1.0 FE4 C:SF4900 2.7 32.3 1.0 FE3 C:SF4900 2.7 30.7 1.0 FE1 C:SF4900 2.7 31.9 1.0 CB C:CYS265 3.3 33.0 1.0 CG2 C:THR267 3.3 35.5 1.0 N C:GLY299 3.9 26.2 1.0 S2 C:SF4900 3.9 30.8 1.0 CA C:GLY299 4.2 26.3 1.0 OE2 C:GLU307 4.2 34.8 1.0 N C:CYS268 4.3 34.1 1.0 CA C:THR267 4.3 34.8 1.0 CB C:THR267 4.4 35.0 1.0 N C:CYS300 4.5 26.4 1.0 CA C:CYS265 4.6 33.1 1.0 C C:GLY299 4.7 26.4 1.0 C C:CYS265 4.8 33.5 1.0 CD C:PRO266 4.8 33.8 1.0 C C:THR267 4.8 34.6 1.0 N C:PRO266 4.8 33.8 1.0 OE1 C:GLU307 4.8 36.2 1.0 SG C:CYS300 4.9 27.6 1.0 SG C:CYS268 4.9 32.7 1.0 CD C:GLU307 4.9 36.2 1.0 C C:MET298 5.0 26.2 1.0

M.Lee, T.Grawert, F.Quitterer, F.Rohdich, J.Eppinger, W.Eisenreich, A.Bacher, M.Groll. Biosynthesis of Isoprenoids: Crystal Structure of the [4FE-4S] Cluster Protein Ispg. J.Mol.Biol. V. 404 600 2010.
ISSN: ISSN 0022-2836
PubMed: 20932974
DOI: 10.1016/J.JMB.2010.09.050