Iron in PDB 2ams: Strucutre of the Oxidized Hipip From Thermochromatium Tepidum at 1.4 Angstrom Resolution

The structure of Strucutre of the Oxidized Hipip From Thermochromatium Tepidum at 1.4 Angstrom Resolution, PDB code: 2ams was solved by L.M.Hunsicker-Wang, W.Han, C.D.Stout, L.Noodleman, J.A.Fee, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.55 / 1.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	23.460, 46.550, 59.050, 90.00, 90.00, 90.00
R / Rfree (%)	15.7 / 19.4

The binding sites of Iron atom in the Strucutre of the Oxidized Hipip From Thermochromatium Tepidum at 1.4 Angstrom Resolution (pdb code 2ams). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Strucutre of the Oxidized Hipip From Thermochromatium Tepidum at 1.4 Angstrom Resolution, PDB code: 2ams:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Strucutre of the Oxidized Hipip From Thermochromatium Tepidum at 1.4 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Strucutre of the Oxidized Hipip From Thermochromatium Tepidum at 1.4 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe84 b:7.8 occ:1.00 FE1 A:SF484 0.0 7.8 1.0 SG A:CYS43 2.2 7.8 1.0 S4 A:SF484 2.2 7.5 1.0 S2 A:SF484 2.3 8.3 1.0 S3 A:SF484 2.3 7.5 1.0 FE2 A:SF484 2.7 8.2 1.0 FE3 A:SF484 2.7 8.2 1.0 FE4 A:SF484 2.8 8.0 1.0 CB A:CYS43 3.2 7.5 1.0 CA A:CYS43 3.6 7.3 1.0 S1 A:SF484 3.9 7.7 1.0 N A:CYS43 4.3 7.4 1.0 N A:CYS75 4.5 6.7 1.0 CG1 A:ILE69 4.6 8.1 1.0 CA A:TRP74 4.6 5.5 1.0 CD1 A:ILE69 4.7 11.7 1.0 C A:TRP74 4.7 7.3 1.0 SG A:CYS46 4.8 8.8 1.0 CB A:CYS46 4.8 8.0 1.0 SG A:CYS75 4.8 7.9 1.0 SG A:CYS61 4.8 7.9 1.0 C A:CYS43 4.8 8.0 1.0 N A:TRP74 4.9 6.6 1.0 CE1 A:TYR19 4.9 6.7 1.0 CB A:ILE69 5.0 6.8 1.0 CD1 A:TYR19 5.0 8.1 1.0

Iron binding site 2 out of 4 in the Strucutre of the Oxidized Hipip From Thermochromatium Tepidum at 1.4 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Strucutre of the Oxidized Hipip From Thermochromatium Tepidum at 1.4 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe84 b:8.2 occ:1.00 FE2 A:SF484 0.0 8.2 1.0 S3 A:SF484 2.2 7.5 1.0 SG A:CYS61 2.2 7.9 1.0 S4 A:SF484 2.3 7.5 1.0 S1 A:SF484 2.3 7.7 1.0 FE4 A:SF484 2.7 8.0 1.0 FE3 A:SF484 2.7 8.2 1.0 FE1 A:SF484 2.7 7.8 1.0 CB A:CYS61 3.2 7.3 1.0 S2 A:SF484 3.9 8.3 1.0 CA A:CYS61 4.3 6.2 1.0 CB A:PHE48 4.4 7.1 1.0 SG A:CYS75 4.5 7.9 1.0 SG A:CYS43 4.7 7.8 1.0 SG A:CYS46 4.7 8.8 1.0 CD2 A:PHE64 4.7 12.6 1.0 CG1 A:ILE69 4.7 8.1 1.0 CE2 A:PHE64 4.8 9.0 1.0 CG A:LEU63 4.9 7.3 1.0 C A:PHE48 4.9 8.7 1.0 O A:PHE48 5.0 10.4 1.0 CG2 A:ILE69 5.0 12.2 1.0 CD1 A:LEU63 5.0 7.3 1.0

Iron binding site 3 out of 4 in the Strucutre of the Oxidized Hipip From Thermochromatium Tepidum at 1.4 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Strucutre of the Oxidized Hipip From Thermochromatium Tepidum at 1.4 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe84 b:8.2 occ:1.00 FE3 A:SF484 0.0 8.2 1.0 SG A:CYS75 2.2 7.9 1.0 S4 A:SF484 2.3 7.5 1.0 S2 A:SF484 2.3 8.3 1.0 S1 A:SF484 2.3 7.7 1.0 FE2 A:SF484 2.7 8.2 1.0 FE1 A:SF484 2.7 7.8 1.0 FE4 A:SF484 2.7 8.0 1.0 CB A:CYS75 3.2 6.9 1.0 N A:CYS75 3.7 6.7 1.0 CA A:CYS75 3.8 7.9 1.0 S3 A:SF484 3.9 7.5 1.0 O A:CYS75 4.2 8.3 1.0 C A:CYS75 4.2 10.5 1.0 N A:TRP78 4.4 7.4 1.0 C A:TRP74 4.4 7.3 1.0 SG A:CYS61 4.6 7.9 1.0 C A:SER77 4.7 6.8 1.0 SG A:CYS43 4.7 7.8 1.0 CB A:SER77 4.7 8.6 1.0 N A:SER77 4.8 7.3 1.0 CA A:TRP78 4.8 7.1 1.0 SG A:CYS46 4.8 8.8 1.0 CA A:SER77 5.0 9.1 1.0

Iron binding site 4 out of 4 in the Strucutre of the Oxidized Hipip From Thermochromatium Tepidum at 1.4 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Strucutre of the Oxidized Hipip From Thermochromatium Tepidum at 1.4 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe84 b:8.0 occ:1.00 FE4 A:SF484 0.0 8.0 1.0 S1 A:SF484 2.2 7.7 1.0 SG A:CYS46 2.3 8.8 1.0 S3 A:SF484 2.3 7.5 1.0 S2 A:SF484 2.3 8.3 1.0 FE2 A:SF484 2.7 8.2 1.0 FE3 A:SF484 2.7 8.2 1.0 FE1 A:SF484 2.8 7.8 1.0 CB A:CYS46 3.1 8.0 1.0 S4 A:SF484 3.9 7.5 1.0 CB A:PHE48 4.3 7.1 1.0 CA A:TRP78 4.3 7.1 1.0 N A:TRP78 4.6 7.4 1.0 CA A:CYS46 4.6 5.3 1.0 SG A:CYS61 4.6 7.9 1.0 CD1 A:TRP78 4.6 8.4 1.0 CD2 A:PHE48 4.7 8.1 1.0 CA A:CYS43 4.7 7.3 1.0 N A:PHE48 4.7 9.3 1.0 SG A:CYS43 4.7 7.8 1.0 SG A:CYS75 4.8 7.9 1.0 O A:SER77 4.8 8.3 1.0 C A:SER77 4.9 6.8 1.0 CA A:PHE48 4.9 9.4 1.0 N A:MET49 4.9 8.9 1.0

L.M.Hunsicker-Wang, W.Han, C.D.Stout, L.Noodleman, J.A.Fee. Geometric Factors Determine, in Part, the Electronic State of the 4FE-4S Cluster of Hipip From Thermochromtium Tepidum: A Geomteric, Crystallographic, and Theoretical Study. To Be Published.