Iron in PDB 5b4e: Sulfur Transferase Ttua in Complex with Iron Sulfur Cluster and Atp Derivative

The structure of Sulfur Transferase Ttua in Complex with Iron Sulfur Cluster and Atp Derivative, PDB code: 5b4e was solved by M.Chen, S.Narai, Y.Tanaka, M.Yao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.46 / 2.70
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	92.911, 92.911, 266.854, 90.00, 90.00, 120.00
R / Rfree (%)	21.6 / 23.7

The structure of Sulfur Transferase Ttua in Complex with Iron Sulfur Cluster and Atp Derivative also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Iron atom in the Sulfur Transferase Ttua in Complex with Iron Sulfur Cluster and Atp Derivative (pdb code 5b4e). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Sulfur Transferase Ttua in Complex with Iron Sulfur Cluster and Atp Derivative, PDB code: 5b4e:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Sulfur Transferase Ttua in Complex with Iron Sulfur Cluster and Atp Derivative


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Sulfur Transferase Ttua in Complex with Iron Sulfur Cluster and Atp Derivative within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe404 b:0.4 occ:0.83 FE1 A:SF4404 0.0 0.4 0.8 S3 A:SF4404 2.1 70.6 0.8 S4 A:SF4404 2.1 94.1 0.8 S2 A:SF4404 2.1 64.7 0.8 SG A:CYS222 2.3 99.3 1.0 FE3 A:SF4404 3.0 0.1 0.8 FE4 A:SF4404 3.0 66.0 0.8 FE2 A:SF4404 3.0 77.0 0.8 CB A:CYS222 3.1 0.4 1.0 S1 A:SF4404 3.7 63.4 0.8 CD1 A:ILE83 3.8 45.6 1.0 CA A:ASN224 4.4 79.0 1.0 CA A:CYS222 4.6 0.0 1.0 N A:ASN224 4.8 86.9 1.0 CB A:ASN224 4.9 0.4 1.0

Iron binding site 2 out of 4 in the Sulfur Transferase Ttua in Complex with Iron Sulfur Cluster and Atp Derivative


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Sulfur Transferase Ttua in Complex with Iron Sulfur Cluster and Atp Derivative within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe404 b:77.0 occ:0.83 FE2 A:SF4404 0.0 77.0 0.8 S4 A:SF4404 2.1 94.1 0.8 S1 A:SF4404 2.1 63.4 0.8 S3 A:SF4404 2.1 70.6 0.8 SG A:CYS130 2.3 75.0 1.0 FE3 A:SF4404 3.0 0.1 0.8 FE1 A:SF4404 3.0 0.4 0.8 FE4 A:SF4404 3.0 66.0 0.8 CB A:CYS130 3.4 59.6 1.0 CA A:CYS130 3.6 84.4 1.0 S2 A:SF4404 3.7 64.7 0.8 N A:CYS130 4.2 71.4 1.0 N A:ALA225 4.3 90.7 1.0 CA A:ASN224 4.4 79.0 1.0 CB A:ASN224 4.5 0.4 1.0 N A:GLY227 4.9 0.0 1.0 C A:ASN224 4.9 92.7 1.0 C A:ALA129 4.9 61.0 1.0 SG A:CYS222 4.9 99.3 1.0 C A:CYS130 4.9 68.2 1.0

Iron binding site 3 out of 4 in the Sulfur Transferase Ttua in Complex with Iron Sulfur Cluster and Atp Derivative


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Sulfur Transferase Ttua in Complex with Iron Sulfur Cluster and Atp Derivative within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe404 b:0.1 occ:0.83 FE3 A:SF4404 0.0 0.1 0.8 S1 A:SF4404 2.1 63.4 0.8 S4 A:SF4404 2.1 94.1 0.8 S2 A:SF4404 2.1 64.7 0.8 FE2 A:SF4404 3.0 77.0 0.8 FE4 A:SF4404 3.0 66.0 0.8 FE1 A:SF4404 3.0 0.4 0.8 S3 A:SF4404 3.6 70.6 0.8 NZ A:LYS137 3.9 60.8 1.0 O A:HOH501 4.1 91.6 1.0 SG A:CYS133 4.8 58.6 1.0 CB A:CYS222 4.9 0.4 1.0 OE1 A:GLU221 4.9 94.3 1.0 SG A:CYS222 5.0 99.3 1.0

Iron binding site 4 out of 4 in the Sulfur Transferase Ttua in Complex with Iron Sulfur Cluster and Atp Derivative


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Sulfur Transferase Ttua in Complex with Iron Sulfur Cluster and Atp Derivative within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe404 b:66.0 occ:0.83 FE4 A:SF4404 0.0 66.0 0.8 S2 A:SF4404 2.1 64.7 0.8 S1 A:SF4404 2.1 63.4 0.8 S3 A:SF4404 2.1 70.6 0.8 SG A:CYS133 2.3 58.6 1.0 CB A:CYS133 2.9 37.1 1.0 FE3 A:SF4404 3.0 0.1 0.8 FE1 A:SF4404 3.0 0.4 0.8 FE2 A:SF4404 3.0 77.0 0.8 S4 A:SF4404 3.7 94.1 0.8 NZ A:LYS137 4.2 60.8 1.0 CA A:CYS133 4.4 35.2 1.0 CD1 A:LEU81 4.5 49.2 1.0 CA A:CYS130 4.5 84.4 1.0 CE A:LYS137 4.6 57.2 1.0 O A:ALA129 4.6 58.0 1.0 C A:CYS133 4.7 47.3 1.0 CD1 A:ILE83 4.7 45.6 1.0 CG1 A:VAL118 4.9 43.0 1.0 N A:GLY134 4.9 44.5 1.0 SG A:CYS130 4.9 75.0 1.0 O A:CYS130 4.9 64.5 1.0

M.Chen, S.I.Asai, S.Narai, S.Nambu, N.Omura, Y.Sakaguchi, T.Suzuki, M.Ikeda-Saito, K.Watanabe, M.Yao, N.Shigi, Y.Tanaka. Biochemical and Structural Characterization of Oxygen-Sensitive 2-Thiouridine Synthesis Catalyzed By An Iron-Sulfur Protein Ttua Proc. Natl. Acad. Sci. V. 114 4954 2017U.S.A..
ISSN: ESSN 1091-6490
PubMed: 28439027
DOI: 10.1073/PNAS.1615585114