Iron in PDB 4s3b: Ispg in Complex with Intermediate II

All present enzymatic activity of Ispg in Complex with Intermediate II:
1.17.7.1;

The structure of Ispg in Complex with Intermediate II, PDB code: 4s3b was solved by F.Quitterer, A.Frank, K.Wang, G.Rao, B.O'dowd, J.Li, F.Guerra, S.Abdel-Azeim, A.Bacher, J.Eppinger, E.Oldfield, M.Groll, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 1.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	111.090, 62.100, 86.140, 90.00, 127.10, 90.00
R / Rfree (%)	15.1 / 20

The binding sites of Iron atom in the Ispg in Complex with Intermediate II (pdb code 4s3b). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Ispg in Complex with Intermediate II, PDB code: 4s3b:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Ispg in Complex with Intermediate II


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Ispg in Complex with Intermediate II within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe902 b:23.8 occ:1.00 FE1 A:SF4902 0.0 23.8 1.0 S3 A:SF4902 2.1 25.1 1.0 S2 A:SF4902 2.2 24.1 1.0 S4 A:SF4902 2.2 25.9 1.0 SG A:CYS300 2.4 26.1 1.0 FE3 A:SF4902 2.6 24.5 1.0 FE2 A:SF4902 2.6 28.2 1.0 FE4 A:SF4902 2.6 23.9 1.0 CB A:CYS300 3.4 22.2 1.0 N A:CYS300 3.5 23.5 1.0 S1 A:SF4902 3.7 29.8 1.0 CA A:CYS300 4.0 23.1 1.0 C A:GLY299 4.1 23.8 1.0 C2 A:43Q901 4.2 23.8 1.0 O1 A:43Q901 4.3 34.3 1.0 C1 A:43Q901 4.4 28.6 1.0 SG A:CYS343 4.4 25.9 1.0 CB A:ARG302 4.5 28.1 1.0 CA A:GLY299 4.5 21.8 1.0 C A:CYS300 4.7 24.7 1.0 SG A:CYS297 4.8 25.5 1.0 CD A:ARG302 4.8 29.0 1.0 O A:GLY299 4.8 30.3 1.0 C3 A:43Q901 4.9 29.2 1.0 O A:HOH1033 4.9 25.9 1.0 N A:GLY299 4.9 21.9 1.0 CG A:ARG302 4.9 29.1 1.0

Iron binding site 2 out of 4 in the Ispg in Complex with Intermediate II


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Ispg in Complex with Intermediate II within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe902 b:28.2 occ:1.00 FE2 A:SF4902 0.0 28.2 1.0 O1 A:43Q901 1.9 34.3 1.0 S4 A:SF4902 2.1 25.9 1.0 S1 A:SF4902 2.2 29.8 1.0 S3 A:SF4902 2.2 25.1 1.0 FE4 A:SF4902 2.5 23.9 1.0 FE1 A:SF4902 2.6 23.8 1.0 FE3 A:SF4902 2.6 24.5 1.0 C3 A:43Q901 3.1 29.2 1.0 C1 A:43Q901 3.1 28.6 1.0 S2 A:SF4902 3.6 24.1 1.0 C4 A:43Q901 3.9 28.1 1.0 C2 A:43Q901 3.9 23.8 1.0 C A:43Q901 4.2 28.0 1.0 CB A:CYS297 4.3 24.7 1.0 OD1 A:ASN346 4.3 24.5 1.0 SG A:CYS297 4.4 25.5 1.0 SG A:CYS343 4.7 25.9 1.0 SG A:CYS300 4.7 26.1 1.0 O A:43Q901 4.9 32.8 1.0 CB A:ASN346 4.9 23.3 1.0 CB A:VAL345 4.9 25.4 1.0

Iron binding site 3 out of 4 in the Ispg in Complex with Intermediate II


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Ispg in Complex with Intermediate II within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe902 b:24.5 occ:1.00 FE3 A:SF4902 0.0 24.5 1.0 S1 A:SF4902 2.1 29.8 1.0 S4 A:SF4902 2.2 25.9 1.0 S2 A:SF4902 2.2 24.1 1.0 SG A:CYS343 2.3 25.9 1.0 FE1 A:SF4902 2.6 23.8 1.0 FE2 A:SF4902 2.6 28.2 1.0 FE4 A:SF4902 2.6 23.9 1.0 CB A:CYS343 3.3 24.8 1.0 N A:CYS343 3.6 26.3 1.0 S3 A:SF4902 3.7 25.1 1.0 CA A:CYS343 3.9 24.6 1.0 C A:GLY342 4.2 25.8 1.0 C A:CYS343 4.3 26.1 1.0 O A:CYS343 4.3 25.5 1.0 CB A:VAL345 4.4 25.4 1.0 O1 A:43Q901 4.4 34.3 1.0 SG A:CYS300 4.5 26.1 1.0 CB A:ARG302 4.6 28.1 1.0 CA A:GLY342 4.6 24.2 1.0 CD A:ARG302 4.7 29.0 1.0 SG A:CYS297 4.8 25.5 1.0 N A:VAL345 4.8 23.9 1.0 CG2 A:VAL345 4.9 24.3 1.0 N A:GLY342 4.9 25.9 1.0 NE A:ARG302 4.9 33.9 1.0 O A:GLY342 4.9 25.6 1.0 N A:ASN346 4.9 23.9 1.0

Iron binding site 4 out of 4 in the Ispg in Complex with Intermediate II


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Ispg in Complex with Intermediate II within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe902 b:23.9 occ:1.00 FE4 A:SF4902 0.0 23.9 1.0 S2 A:SF4902 2.2 24.1 1.0 S1 A:SF4902 2.2 29.8 1.0 S3 A:SF4902 2.2 25.1 1.0 SG A:CYS297 2.3 25.5 1.0 FE2 A:SF4902 2.5 28.2 1.0 FE3 A:SF4902 2.6 24.5 1.0 FE1 A:SF4902 2.6 23.8 1.0 CB A:CYS297 3.2 24.7 1.0 S4 A:SF4902 3.6 25.9 1.0 N A:GLY342 4.0 25.9 1.0 O1 A:43Q901 4.0 34.3 1.0 CA A:GLY342 4.0 24.2 1.0 CA A:GLY299 4.0 21.8 1.0 N A:GLY299 4.1 21.9 1.0 N A:CYS343 4.4 26.3 1.0 C A:GLY342 4.5 25.8 1.0 N A:CYS300 4.6 23.5 1.0 C A:GLY299 4.6 23.8 1.0 CA A:CYS297 4.6 20.3 1.0 SG A:CYS343 4.8 25.9 1.0 SG A:CYS300 4.9 26.1 1.0 C A:CYS297 4.9 20.6 1.0

F.Quitterer, A.Frank, K.Wang, G.Rao, B.O'dowd, J.Li, F.Guerra, S.Abdel-Azeim, A.Bacher, J.Eppinger, E.Oldfield, M.Groll. Atomic Resolution Structures of Discrete Stages on the Reaction Coordinate of the [FE4S4] Enzyme Ispg (Gcpe). J.Mol.Biol. 2015.
ISSN: ESSN 1089-8638
PubMed: 25868383
DOI: 10.1016/J.JMB.2015.04.002