Iron in PDB 7a58: Noe-Only Solution Structure of the Iron-Sulfur Protein Pioc From Rhodopseudomonas Palustris Tie-1

The binding sites of Iron atom in the Noe-Only Solution Structure of the Iron-Sulfur Protein Pioc From Rhodopseudomonas Palustris Tie-1 (pdb code 7a58). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Noe-Only Solution Structure of the Iron-Sulfur Protein Pioc From Rhodopseudomonas Palustris Tie-1, PDB code: 7a58:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Noe-Only Solution Structure of the Iron-Sulfur Protein Pioc From Rhodopseudomonas Palustris Tie-1


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Noe-Only Solution Structure of the Iron-Sulfur Protein Pioc From Rhodopseudomonas Palustris Tie-1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe101 b:0.6 occ:1.00 FE1 A:SF4101 0.0 0.6 1.0 S4 A:SF4101 2.2 0.6 1.0 SG A:CYS34 2.2 0.6 1.0 S2 A:SF4101 2.3 0.6 1.0 S3 A:SF4101 2.3 0.7 1.0 FE3 A:SF4101 2.4 0.5 1.0 FE2 A:SF4101 2.5 0.7 1.0 FE4 A:SF4101 2.6 0.7 1.0 HB A:THR36 3.0 1.5 1.0 HB2 A:CYS34 3.1 0.7 1.0 HB2 A:GLN27 3.2 3.1 1.0 CB A:CYS34 3.3 0.6 1.0 HG1 A:THR36 3.5 1.8 1.0 HG13 A:VAL37 3.7 3.0 1.0 S1 A:SF4101 3.8 0.7 1.0 HB3 A:CYS34 3.9 0.7 1.0 H A:THR36 3.9 0.7 1.0 CB A:THR36 4.0 1.2 1.0 HG12 A:ILE41 4.0 2.6 1.0 CB A:GLN27 4.2 2.5 1.0 HA A:PHE28 4.2 1.1 1.0 HB3 A:GLN27 4.2 2.7 1.0 OG1 A:THR36 4.2 1.4 1.0 HA A:CYS34 4.4 0.6 1.0 HB3 A:CYS47 4.4 0.8 1.0 HD1 A:PHE28 4.4 2.2 1.0 SG A:CYS22 4.4 0.7 1.0 CA A:CYS34 4.4 0.6 1.0 HG3 A:GLN27 4.5 4.2 1.0 SG A:CYS47 4.5 0.8 1.0 HG12 A:VAL37 4.5 2.1 1.0 SG A:CYS25 4.5 0.9 1.0 HA A:CYS22 4.5 0.8 1.0 H A:VAL37 4.6 0.6 1.0 CG1 A:VAL37 4.6 1.9 1.0 HG23 A:THR36 4.6 2.8 1.0 HB3 A:CYS25 4.7 1.5 1.0 N A:THR36 4.8 0.8 1.0 CG2 A:THR36 4.9 1.7 1.0 HB2 A:PHE28 4.9 1.1 1.0 CG A:GLN27 4.9 3.5 1.0 H A:ILE35 4.9 0.9 1.0 CA A:THR36 5.0 1.0 1.0 C A:GLN27 5.0 1.3 1.0 HB3 A:CYS22 5.0 1.1 1.0

Iron binding site 2 out of 4 in the Noe-Only Solution Structure of the Iron-Sulfur Protein Pioc From Rhodopseudomonas Palustris Tie-1


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Noe-Only Solution Structure of the Iron-Sulfur Protein Pioc From Rhodopseudomonas Palustris Tie-1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe101 b:0.7 occ:1.00 FE2 A:SF4101 0.0 0.7 1.0 S3 A:SF4101 2.2 0.7 1.0 SG A:CYS25 2.2 0.9 1.0 S1 A:SF4101 2.3 0.7 1.0 S4 A:SF4101 2.3 0.6 1.0 FE4 A:SF4101 2.5 0.7 1.0 FE1 A:SF4101 2.5 0.6 1.0 FE3 A:SF4101 2.6 0.5 1.0 HB2 A:GLN27 2.8 3.1 1.0 HB3 A:CYS25 3.0 1.5 1.0 CB A:CYS25 3.0 1.2 1.0 HB2 A:CYS25 3.1 1.5 1.0 HA A:CYS22 3.5 0.8 1.0 S2 A:SF4101 3.8 0.6 1.0 H A:GLN27 3.8 1.1 1.0 HG2 A:GLN27 3.8 4.1 1.0 CB A:GLN27 3.8 2.5 1.0 HG3 A:GLN27 3.8 4.2 1.0 CG A:GLN27 4.0 3.5 1.0 HG1 A:THR36 4.1 1.8 1.0 HB2 A:PHE28 4.3 1.1 1.0 HB3 A:GLN27 4.4 2.7 1.0 SG A:CYS34 4.4 0.6 1.0 SG A:CYS47 4.4 0.8 1.0 CA A:CYS25 4.5 1.4 1.0 SG A:CYS22 4.5 0.7 1.0 CA A:CYS22 4.6 0.7 1.0 N A:GLN27 4.6 1.2 1.0 CA A:GLN27 4.6 1.5 1.0 H A:PHE28 4.7 1.4 1.0 HB A:THR36 4.8 1.5 1.0 HA A:PHE28 4.8 1.1 1.0 HA A:CYS25 4.9 1.3 1.0 N A:PHE28 4.9 1.1 1.0 HB2 A:CYS34 4.9 0.7 1.0 C A:GLN27 4.9 1.3 1.0 C A:CYS25 5.0 2.0 1.0 HD1 A:PHE28 5.0 2.2 1.0

Iron binding site 3 out of 4 in the Noe-Only Solution Structure of the Iron-Sulfur Protein Pioc From Rhodopseudomonas Palustris Tie-1


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Noe-Only Solution Structure of the Iron-Sulfur Protein Pioc From Rhodopseudomonas Palustris Tie-1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe101 b:0.5 occ:1.00 FE3 A:SF4101 0.0 0.5 1.0 S2 A:SF4101 2.2 0.6 1.0 SG A:CYS22 2.2 0.7 1.0 S4 A:SF4101 2.3 0.6 1.0 S1 A:SF4101 2.3 0.7 1.0 FE1 A:SF4101 2.4 0.6 1.0 FE4 A:SF4101 2.5 0.7 1.0 FE2 A:SF4101 2.6 0.7 1.0 HA A:CYS22 2.7 0.8 1.0 CB A:CYS22 3.3 0.9 1.0 HB3 A:CYS22 3.4 1.1 1.0 CA A:CYS22 3.5 0.7 1.0 H A:TRP46 3.5 1.3 1.0 S3 A:SF4101 3.7 0.7 1.0 HG12 A:ILE41 3.8 2.6 1.0 HD13 A:ILE41 4.0 4.0 1.0 HA A:TRP46 4.0 1.0 1.0 HD1 A:PHE28 4.0 2.2 1.0 HB3 A:CYS25 4.0 1.5 1.0 N A:CYS22 4.1 0.6 1.0 HB2 A:CYS25 4.1 1.5 1.0 HB3 A:CYS47 4.2 0.8 1.0 HB2 A:CYS34 4.2 0.7 1.0 H A:CYS22 4.2 0.7 1.0 HB2 A:CYS22 4.2 1.1 1.0 N A:TRP46 4.4 0.9 1.0 SG A:CYS34 4.4 0.6 1.0 CB A:CYS25 4.4 1.2 1.0 H A:CYS47 4.5 1.0 1.0 SG A:CYS25 4.5 0.9 1.0 HA3 A:GLY45 4.6 1.3 1.0 CG1 A:ILE41 4.6 2.1 1.0 CA A:TRP46 4.6 0.8 1.0 SG A:CYS47 4.6 0.8 1.0 HG13 A:ILE41 4.6 2.9 1.0 CD1 A:ILE41 4.7 2.9 1.0 HB2 A:PHE28 4.7 1.1 1.0 C A:CYS22 4.7 1.1 1.0 N A:CYS47 4.7 0.8 1.0 HB2 A:GLN27 4.8 3.1 1.0 C A:TRP46 4.8 0.8 1.0 CB A:CYS34 4.9 0.6 1.0 CB A:CYS47 4.9 0.7 1.0 C A:ARG21 4.9 0.7 1.0 HD12 A:ILE41 4.9 3.2 1.0 CD1 A:PHE28 5.0 1.3 1.0 O A:CYS22 5.0 1.6 1.0

Iron binding site 4 out of 4 in the Noe-Only Solution Structure of the Iron-Sulfur Protein Pioc From Rhodopseudomonas Palustris Tie-1


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Noe-Only Solution Structure of the Iron-Sulfur Protein Pioc From Rhodopseudomonas Palustris Tie-1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe101 b:0.7 occ:1.00 FE4 A:SF4101 0.0 0.7 1.0 S1 A:SF4101 2.2 0.7 1.0 SG A:CYS47 2.2 0.8 1.0 S3 A:SF4101 2.2 0.7 1.0 S2 A:SF4101 2.3 0.6 1.0 FE3 A:SF4101 2.5 0.5 1.0 FE2 A:SF4101 2.5 0.7 1.0 FE1 A:SF4101 2.6 0.6 1.0 HB3 A:CYS47 2.8 0.8 1.0 CB A:CYS47 3.1 0.7 1.0 H A:CYS47 3.3 1.0 1.0 N A:CYS47 3.7 0.8 1.0 S4 A:SF4101 3.8 0.6 1.0 HB A:THR36 3.9 1.5 1.0 HB2 A:CYS47 4.0 0.8 1.0 HA A:TRP46 4.0 1.0 1.0 HG1 A:THR36 4.0 1.8 1.0 HG23 A:THR36 4.0 2.8 1.0 CA A:CYS47 4.0 0.8 1.0 SG A:CYS22 4.3 0.7 1.0 C A:TRP46 4.4 0.8 1.0 SG A:CYS25 4.5 0.9 1.0 HB2 A:GLN27 4.6 3.1 1.0 SG A:CYS34 4.6 0.6 1.0 HA A:CYS22 4.7 0.8 1.0 CB A:THR36 4.7 1.2 1.0 H A:TRP46 4.7 1.3 1.0 CA A:TRP46 4.7 0.8 1.0 CG2 A:THR36 4.8 1.7 1.0 OG1 A:THR36 4.8 1.4 1.0 HG3 A:GLN27 4.8 4.2 1.0 HB3 A:LEU49 4.8 3.1 1.0 HA A:CYS47 4.9 0.8 1.0 HB2 A:CYS25 4.9 1.5 1.0 O A:LEU49 4.9 2.7 1.0 C A:CYS47 4.9 0.9 1.0 HG21 A:THR36 5.0 2.7 1.0 O A:CYS47 5.0 1.3 1.0

I.B.Trindade, M.Invernici, F.Cantini, R.O.Louro, M.Piccioli. Pre-Driven Protein uc(Nmr) Structures: An Alternative Approach in Highly Paramagnetic Systems. Febs J. 2020.
ISSN: ISSN 1742-464X
PubMed: 33124176
DOI: 10.1111/FEBS.15615