Iron in PDB 3tbn: Crystal Structure of A MINER2 Homolog: A Type 6 Cdgsh Iron-Sulfur Protein.

The structure of Crystal Structure of A MINER2 Homolog: A Type 6 Cdgsh Iron-Sulfur Protein., PDB code: 3tbn was solved by J.Lin, L.Zhang, K.Ye, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	14.06 / 1.15
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	63.498, 63.498, 49.068, 90.00, 90.00, 120.00
R / Rfree (%)	11.1 / 12.5

The binding sites of Iron atom in the Crystal Structure of A MINER2 Homolog: A Type 6 Cdgsh Iron-Sulfur Protein. (pdb code 3tbn). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of A MINER2 Homolog: A Type 6 Cdgsh Iron-Sulfur Protein., PDB code: 3tbn:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of A MINER2 Homolog: A Type 6 Cdgsh Iron-Sulfur Protein.


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 A MINER2 Homolog: A Type 6 Cdgsh Iron-Sulfur Protein. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe80 b:6.5 occ:0.88 FE1 A:FES80 0.0 6.5 0.9 ND1 A:HIS40 2.1 7.4 0.9 S1 A:FES80 2.2 6.8 0.9 S2 A:FES80 2.2 6.6 0.9 SG A:CYS36 2.3 7.4 0.9 FE2 A:FES80 2.7 5.7 0.9 HB3 A:HIS40 2.9 10.1 1.0 CE1 A:HIS40 3.1 10.0 1.0 CG A:HIS40 3.2 7.9 0.9 H A:HIS40 3.2 9.2 0.6 HE1 A:HIS40 3.2 12.0 1.0 HB2 A:CYS36 3.2 9.5 1.0 H A:GLY38 3.2 10.0 0.5 HA A:CYS36 3.3 8.1 1.0 CB A:CYS36 3.3 7.9 1.0 HD3 A:PRO47 3.4 14.3 1.0 CB A:HIS40 3.5 8.4 1.0 HB3 A:PRO47 3.6 14.4 1.0 CA A:CYS36 3.8 6.8 1.0 H A:ASP37 3.8 9.0 0.7 HA A:CYS25 3.9 7.2 1.0 N A:HIS40 3.9 7.6 0.9 N A:GLY38 4.0 8.4 1.0 HA2 A:GLY38 4.0 11.6 0.9 HB3 A:CYS36 4.2 9.5 0.9 H A:SER39 4.2 9.4 0.7 NE2 A:HIS40 4.2 10.6 0.9 CD A:PRO47 4.2 11.9 1.0 HG3 A:PRO47 4.2 15.6 0.7 N A:ASP37 4.2 7.5 1.0 CD2 A:HIS40 4.3 10.6 0.9 HB2 A:HIS40 4.3 10.1 1.0 CA A:HIS40 4.3 7.6 1.0 CA A:GLY38 4.4 9.7 0.9 N A:SER39 4.4 7.9 0.9 C A:CYS36 4.4 7.2 0.9 CB A:PRO47 4.4 12.0 1.0 SG A:CYS27 4.5 6.5 0.9 CG A:PRO47 4.5 13.0 1.0 C A:GLY38 4.5 8.7 0.9 HB2 A:CYS25 4.6 7.6 1.0 HB2 A:SER30 4.6 8.5 1.0 N A:PRO47 4.7 8.9 0.9 SG A:CYS25 4.7 5.9 0.9 H A:ALA26 4.7 7.7 1.0 HA A:PRO47 4.7 11.0 0.9 CA A:CYS25 4.8 6.0 1.0 HA A:HIS40 4.8 9.1 0.8 HA A:ALA46 4.9 13.9 1.0 CB A:CYS25 4.9 6.3 0.9 CA A:PRO47 4.9 9.1 0.9 HE2 A:HIS40 5.0 12.7 1.0 HD2 A:PRO47 5.0 14.3 1.0 H A:CYS27 5.0 8.2 0.5

Iron binding site 2 out of 4 in the Crystal Structure of A MINER2 Homolog: A Type 6 Cdgsh Iron-Sulfur Protein.


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 A MINER2 Homolog: A Type 6 Cdgsh Iron-Sulfur Protein. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe80 b:5.7 occ:0.87 FE2 A:FES80 0.0 5.7 0.9 S1 A:FES80 2.2 6.8 0.9 S2 A:FES80 2.2 6.6 0.9 SG A:CYS27 2.4 6.5 0.9 SG A:CYS25 2.4 5.9 0.9 FE1 A:FES80 2.7 6.5 0.9 H A:CYS27 2.8 8.2 0.5 HB3 A:HIS40 3.1 10.1 1.0 HA A:CYS25 3.2 7.2 1.0 CB A:CYS25 3.4 6.3 0.9 HB2 A:CYS25 3.5 7.6 1.0 CB A:CYS27 3.5 7.2 1.0 HB3 A:CYS27 3.5 8.7 1.0 H A:SER30 3.6 8.2 1.0 H A:ARG29 3.6 7.6 0.2 N A:CYS27 3.6 6.8 0.9 HB2 A:SER30 3.7 8.5 1.0 CA A:CYS25 3.7 6.0 1.0 H A:ALA26 3.7 7.7 1.0 HA A:CYS36 3.8 8.1 1.0 H A:GLY28 3.8 7.7 1.0 H A:HIS40 3.9 9.2 0.6 CB A:HIS40 4.0 8.4 1.0 N A:ALA26 4.0 6.4 1.0 CA A:CYS27 4.0 6.6 1.0 HB2 A:ARG29 4.1 9.3 1.0 C A:CYS25 4.1 5.9 0.9 N A:SER30 4.3 6.8 0.9 HB3 A:CYS25 4.3 7.6 1.0 N A:GLY28 4.3 6.4 0.9 N A:HIS40 4.3 7.6 0.9 ND1 A:HIS40 4.3 7.4 0.9 HB2 A:CYS27 4.3 8.7 1.0 N A:ARG29 4.4 6.4 0.9 HA A:HIS40 4.4 9.1 0.8 CB A:SER30 4.5 7.1 1.0 CA A:HIS40 4.5 7.6 1.0 HB2 A:SER39 4.5 13.3 1.0 C A:CYS27 4.5 6.1 0.9 HB2 A:CYS36 4.5 9.5 1.0 HB3 A:SER30 4.6 8.5 1.0 H A:ASP37 4.6 9.0 0.7 HB2 A:HIS40 4.6 10.1 1.0 CG A:HIS40 4.6 7.9 0.9 CA A:CYS36 4.7 6.8 1.0 SG A:CYS36 4.7 7.4 0.9 C A:ALA26 4.7 6.1 0.9 HE21 A:GLN33 4.8 9.2 0.5 CB A:CYS36 4.9 7.9 1.0 CA A:SER30 4.9 7.0 1.0 H A:SER39 4.9 9.4 0.7 HA A:CYS27 4.9 7.9 1.0 CB A:ARG29 5.0 7.7 1.0 CA A:ALA26 5.0 6.3 0.9

Iron binding site 3 out of 4 in the Crystal Structure of A MINER2 Homolog: A Type 6 Cdgsh Iron-Sulfur Protein.


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 A MINER2 Homolog: A Type 6 Cdgsh Iron-Sulfur Protein. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe81 b:7.6 occ:0.92 FE1 A:FES81 0.0 7.6 0.9 ND1 A:HIS76 2.1 9.2 0.9 S2 A:FES81 2.2 7.6 0.9 S1 A:FES81 2.2 7.3 0.9 SG A:CYS72 2.3 8.7 0.9 FE2 A:FES81 2.7 6.5 0.9 HB3 A:HIS76 2.9 12.6 0.9 CE1 A:HIS76 3.0 10.3 0.9 H A:GLY74 3.2 10.5 1.0 CG A:HIS76 3.2 10.0 0.9 H A:HIS76 3.2 11.8 1.0 HE1 A:HIS76 3.2 12.4 0.9 HA A:CYS72 3.2 9.7 1.0 HB2 A:CYS72 3.3 11.0 1.0 CB A:CYS72 3.3 9.2 1.0 CB A:HIS76 3.5 10.5 1.0 HD3 A:PRO11 3.6 13.0 1.0 CA A:CYS72 3.7 8.1 1.0 H A:ASP73 3.7 9.8 1.0 HA2 A:GLY74 3.9 12.0 1.0 N A:GLY74 3.9 8.8 1.0 N A:HIS76 4.0 9.8 0.9 HA A:CYS61 4.0 7.8 1.0 HB3 A:PRO11 4.1 14.6 0.7 NE2 A:HIS76 4.2 11.5 0.9 HB3 A:CYS72 4.2 11.0 1.0 N A:ASP73 4.2 8.1 1.0 H A:THR75 4.2 11.2 0.7 CD2 A:HIS76 4.2 12.1 0.9 HB2 A:HIS76 4.3 12.6 1.0 CA A:GLY74 4.3 10.0 1.0 C A:CYS72 4.4 7.5 0.9 CA A:HIS76 4.4 10.2 1.0 CD A:PRO11 4.4 10.9 1.0 H A:GLY62 4.4 7.5 1.0 N A:THR75 4.5 9.3 0.9 SG A:CYS63 4.5 7.6 0.9 C A:GLY74 4.5 9.6 1.0 N A:PRO11 4.6 8.5 0.9 HA A:ALA10 4.6 11.2 0.9 HA A:PRO11 4.6 10.7 1.0 H A:CYS63 4.7 7.8 0.6 HB2 A:CYS61 4.7 8.5 1.0 SG A:CYS61 4.7 6.6 0.9 HB2 A:SER66 4.8 10.6 1.0 CB A:PRO11 4.8 12.2 1.0 CA A:CYS61 4.9 6.5 1.0 HG3 A:PRO11 4.9 15.4 1.0 HB3 A:CYS63 4.9 10.3 1.0 C A:ALA10 4.9 8.8 0.9 HE2 A:HIS76 4.9 13.8 0.8 HA A:HIS76 5.0 12.2 1.0 CA A:PRO11 5.0 8.9 1.0 N A:CYS72 5.0 7.3 1.0 CB A:CYS61 5.0 7.1 1.0

Iron binding site 4 out of 4 in the Crystal Structure of A MINER2 Homolog: A Type 6 Cdgsh Iron-Sulfur Protein.


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 A MINER2 Homolog: A Type 6 Cdgsh Iron-Sulfur Protein. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe81 b:6.5 occ:0.87 FE2 A:FES81 0.0 6.5 0.9 S2 A:FES81 2.2 7.6 0.9 S1 A:FES81 2.2 7.3 0.9 SG A:CYS61 2.4 6.6 0.9 SG A:CYS63 2.4 7.6 0.9 FE1 A:FES81 2.7 7.6 0.9 H A:CYS63 2.7 7.8 0.6 HB3 A:HIS76 3.1 12.6 0.9 HA A:CYS61 3.4 7.8 1.0 CB A:CYS61 3.4 7.1 1.0 CB A:CYS63 3.5 8.6 1.0 HB3 A:CYS63 3.5 10.3 1.0 HB2 A:CYS61 3.5 8.5 1.0 N A:CYS63 3.5 6.5 0.9 H A:GLY62 3.5 7.5 1.0 HB2 A:SER66 3.5 10.6 1.0 H A:LYS64 3.6 8.2 0.7 H A:SER66 3.7 10.2 0.8 H A:ALA65 3.7 9.1 1.0 H A:HIS76 3.7 11.8 1.0 HA A:CYS72 3.8 9.7 1.0 CA A:CYS61 3.8 6.5 1.0 N A:GLY62 3.9 6.2 1.0 CA A:CYS63 4.0 7.7 1.0 CB A:HIS76 4.0 10.5 1.0 N A:LYS64 4.1 6.8 1.0 N A:SER66 4.2 8.5 1.0 C A:CYS61 4.2 6.2 1.0 HB3 A:CYS61 4.3 8.5 1.0 ND1 A:HIS76 4.3 9.2 0.9 N A:HIS76 4.3 9.8 0.9 HB2 A:CYS63 4.3 10.3 0.9 HB A:THR75 4.3 13.9 1.0 CB A:SER66 4.4 8.8 1.0 C A:CYS63 4.4 6.7 0.9 N A:ALA65 4.5 7.6 1.0 HA A:SER66 4.5 10.4 1.0 HB2 A:HIS76 4.5 12.6 1.0 H A:ASP73 4.6 9.8 1.0 HB2 A:CYS72 4.6 11.0 1.0 CA A:HIS76 4.6 10.2 1.0 C A:GLY62 4.6 6.6 1.0 CG A:HIS76 4.6 10.0 0.9 CA A:SER66 4.6 8.7 1.0 HA A:HIS76 4.6 12.2 1.0 CA A:CYS72 4.7 8.1 1.0 HB3 A:SER66 4.7 10.6 1.0 SG A:CYS72 4.7 8.7 0.9 CA A:GLY62 4.8 6.7 1.0 HB3 A:ALA65 4.9 13.3 0.9 HA A:CYS63 4.9 9.2 1.0 CB A:CYS72 4.9 9.2 1.0 H A:THR75 4.9 11.2 0.7 C A:ALA65 5.0 8.2 0.9

J.Lin, L.Zhang, S.Lai, K.Ye. Structure and Molecular Evolution of Cdgsh Iron-Sulfur Domains. Plos One V. 6 24790 2011.
ISSN: ESSN 1932-6203
PubMed: 21949752
DOI: 10.1371/JOURNAL.PONE.0024790