Iron in PDB 7o25: Complex-B Bound [Fefe]-Hydrogenase Maturase Hyde From T. Maritima (Reaction Triggered in the Crystal)

The structure of Complex-B Bound [Fefe]-Hydrogenase Maturase Hyde From T. Maritima (Reaction Triggered in the Crystal), PDB code: 7o25 was solved by R.Rohac, L.Martin, L.Liu, D.Basu, L.Tao, R.D.Britt, T.Rauchfuss, Y.Nicolet, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.15 / 1.34
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	63.41, 81.7, 70.53, 90, 90, 90
R / Rfree (%)	14.5 / 16.6

The structure of Complex-B Bound [Fefe]-Hydrogenase Maturase Hyde From T. Maritima (Reaction Triggered in the Crystal) also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Iron atom in the Complex-B Bound [Fefe]-Hydrogenase Maturase Hyde From T. Maritima (Reaction Triggered in the Crystal) (pdb code 7o25). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 5 binding sites of Iron where determined in the Complex-B Bound [Fefe]-Hydrogenase Maturase Hyde From T. Maritima (Reaction Triggered in the Crystal), PDB code: 7o25:
Jump to Iron binding site number: 1; 2; 3; 4; 5;

Iron binding site 1 out of 5 in the Complex-B Bound [Fefe]-Hydrogenase Maturase Hyde From T. Maritima (Reaction Triggered in the Crystal)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Complex-B Bound [Fefe]-Hydrogenase Maturase Hyde From T. Maritima (Reaction Triggered in the Crystal) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe402 b:16.9 occ:0.53 N A:5X8412 1.4 30.9 0.4 C A:CYN405 1.8 23.8 0.8 C A:CMO403 1.8 14.4 0.5 C A:CMO404 1.8 19.4 0.8 N A:CYS401 2.1 17.3 0.5 OXT A:CYS401 2.1 19.9 0.5 CA A:5X8412 2.1 30.4 0.4 SG A:CYS401 2.4 29.0 0.5 SG A:5X8412 2.6 21.8 0.4 CA A:CYS401 2.8 18.2 0.5 C A:CYS401 2.8 18.7 0.5 CB A:5X8412 2.8 30.1 0.4 N A:CYN405 3.0 24.2 0.8 O A:CMO403 3.0 20.0 0.5 O A:CMO404 3.1 23.7 0.8 CB A:CYS401 3.1 18.9 0.5 C A:5X8412 3.5 24.4 0.4 O A:CYS401 4.0 22.5 0.5 O A:5X8412 4.0 24.5 0.4 NH1 A:ARG159 4.0 22.9 0.5 OG1 A:THR269 4.3 17.6 0.6 OXT A:5X8412 4.4 26.3 0.4 NH2 A:ARG159 4.4 34.2 0.5 C5' A:5X8412 4.4 19.1 0.4 SD A:MET291 4.4 31.0 0.7 O A:HOH551 4.5 21.6 0.4 O A:HOH553 4.6 24.7 1.0 CG2 A:THR268 4.6 16.4 1.0 CD1 A:ILE56 4.6 21.1 0.6 CE A:MET291 4.7 50.8 0.7 CB A:THR268 4.7 17.0 1.0 O A:HOH797 4.8 19.3 0.3 CD2 A:LEU157 4.8 32.5 0.6 NE2 A:GLN107 4.9 17.3 1.0 SD A:MET291 4.9 16.7 0.3 CZ A:ARG159 4.9 18.7 0.5 O A:HOH547 5.0 28.5 1.0

Iron binding site 2 out of 5 in the Complex-B Bound [Fefe]-Hydrogenase Maturase Hyde From T. Maritima (Reaction Triggered in the Crystal)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Complex-B Bound [Fefe]-Hydrogenase Maturase Hyde From T. Maritima (Reaction Triggered in the Crystal) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe415 b:14.2 occ:1.00 FE1 A:SF4415 0.0 14.2 1.0 S3 A:SF4415 2.3 14.1 1.0 SG A:CYS70 2.3 14.1 1.0 S2 A:SF4415 2.3 14.8 1.0 S4 A:SF4415 2.3 14.5 1.0 FE2 A:SF4415 2.7 14.0 1.0 FE3 A:SF4415 2.7 14.3 1.0 FE4 A:SF4415 2.9 15.9 1.0 CB A:CYS70 3.1 15.8 1.0 CE A:SAM407 3.8 18.9 0.5 S1 A:SF4415 3.8 15.1 1.0 SD A:MET408 4.2 23.0 0.5 CB A:LEU72 4.2 12.9 1.0 SD A:SAM407 4.5 20.7 0.5 CE A:MET408 4.5 29.8 0.4 CA A:CYS70 4.5 14.1 1.0 SG A:CYS67 4.7 15.1 1.0 N A:MET408 4.7 20.8 0.5 N A:ARG73 4.7 13.9 1.0 CG A:LEU72 4.8 15.5 1.0 CB A:CYS67 4.8 14.6 1.0 CD2 A:LEU305 4.8 15.6 0.4 N A:LEU72 4.8 12.7 1.0 SG A:CYS63 4.8 14.2 1.0 OXT A:SAM407 4.8 10.2 0.5 C A:LEU72 4.8 14.2 1.0 CA A:LEU72 4.9 13.2 1.0 O A:MET408 4.9 28.7 0.5 N A:SAM407 4.9 15.0 0.5

Iron binding site 3 out of 5 in the Complex-B Bound [Fefe]-Hydrogenase Maturase Hyde From T. Maritima (Reaction Triggered in the Crystal)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Complex-B Bound [Fefe]-Hydrogenase Maturase Hyde From T. Maritima (Reaction Triggered in the Crystal) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe415 b:14.0 occ:1.00 FE2 A:SF4415 0.0 14.0 1.0 SG A:CYS63 2.3 14.2 1.0 S4 A:SF4415 2.3 14.5 1.0 S3 A:SF4415 2.3 14.1 1.0 S1 A:SF4415 2.3 15.1 1.0 FE1 A:SF4415 2.7 14.2 1.0 FE3 A:SF4415 2.7 14.3 1.0 FE4 A:SF4415 2.9 15.9 1.0 CB A:CYS63 3.3 14.6 1.0 S2 A:SF4415 3.9 14.8 1.0 N A:MET408 4.0 20.8 0.5 N A:SAM407 4.1 15.0 0.5 CB A:LYS65 4.2 15.2 1.0 N A:GLU110 4.5 13.8 1.0 CA A:GLY109 4.7 14.9 1.0 CA A:CYS63 4.7 13.0 1.0 SG A:CYS67 4.7 15.1 1.0 O A:LYS65 4.8 15.9 1.0 SG A:CYS70 4.8 14.1 1.0 N A:LYS65 4.8 13.8 1.0 CA A:LYS65 4.8 14.2 1.0 C A:LYS65 4.8 14.5 1.0 OXT A:SAM407 4.9 10.2 0.5 O A:MET408 4.9 28.7 0.5 CB A:LEU72 5.0 12.9 1.0

Iron binding site 4 out of 5 in the Complex-B Bound [Fefe]-Hydrogenase Maturase Hyde From T. Maritima (Reaction Triggered in the Crystal)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Complex-B Bound [Fefe]-Hydrogenase Maturase Hyde From T. Maritima (Reaction Triggered in the Crystal) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe415 b:14.3 occ:1.00 FE3 A:SF4415 0.0 14.3 1.0 S1 A:SF4415 2.2 15.1 1.0 S4 A:SF4415 2.3 14.5 1.0 SG A:CYS67 2.3 15.1 1.0 S2 A:SF4415 2.3 14.8 1.0 FE2 A:SF4415 2.7 14.0 1.0 FE1 A:SF4415 2.7 14.2 1.0 FE4 A:SF4415 2.9 15.9 1.0 CB A:CYS67 3.2 14.6 1.0 S3 A:SF4415 3.9 14.1 1.0 O A:HOH631 3.9 22.3 1.0 N A:CYS67 4.2 15.0 1.0 O A:MET408 4.2 28.7 0.5 OXT A:SAM407 4.2 10.2 0.5 CA A:CYS67 4.3 13.8 1.0 NH2 A:ARG172 4.4 16.3 1.0 CB A:LYS65 4.4 15.2 1.0 CB A:CYS70 4.4 15.8 1.0 SG A:CYS70 4.6 14.1 1.0 OH A:TYR69 4.7 18.5 1.0 SG A:CYS63 4.7 14.2 1.0 CE1 A:TYR69 4.9 13.8 1.0 N A:MET408 4.9 20.8 0.5 NE A:ARG172 4.9 16.1 1.0 O A:HOH580 4.9 18.6 1.0 CD A:LYS65 4.9 16.7 1.0 N A:SAM407 5.0 15.0 0.5

Iron binding site 5 out of 5 in the Complex-B Bound [Fefe]-Hydrogenase Maturase Hyde From T. Maritima (Reaction Triggered in the Crystal)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Complex-B Bound [Fefe]-Hydrogenase Maturase Hyde From T. Maritima (Reaction Triggered in the Crystal) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe415 b:15.9 occ:1.00 FE4 A:SF4415 0.0 15.9 1.0 OXT A:SAM407 2.2 10.2 0.5 N A:MET408 2.2 20.8 0.5 O A:MET408 2.2 28.7 0.5 S2 A:SF4415 2.3 14.8 1.0 N A:SAM407 2.3 15.0 0.5 S1 A:SF4415 2.4 15.1 1.0 S3 A:SF4415 2.4 14.1 1.0 SD A:MET408 2.9 23.0 0.5 FE2 A:SF4415 2.9 14.0 1.0 FE1 A:SF4415 2.9 14.2 1.0 FE3 A:SF4415 2.9 14.3 1.0 C A:MET408 3.0 26.4 0.4 C A:SAM407 3.1 9.5 0.5 SD A:SAM407 3.1 20.7 0.5 CA A:MET408 3.1 23.7 0.4 CA A:SAM407 3.3 11.6 0.5 CG A:SAM407 3.6 16.5 0.5 CE A:SAM407 3.7 18.9 0.5 CE A:MET408 3.9 29.8 0.4 CG A:MET408 3.9 25.1 0.4 CB A:MET408 4.0 24.1 0.5 CB A:SAM407 4.0 17.0 0.5 O A:HOH631 4.0 22.3 1.0 O A:HOH580 4.1 18.6 1.0 S4 A:SF4415 4.1 14.5 1.0 OXT A:MET408 4.2 29.7 0.5 O A:SAM407 4.3 11.4 0.5 SG A:CYS63 4.7 14.2 1.0 C5' A:SAM407 4.8 19.6 0.5 SG A:CYS70 4.9 14.1 1.0 C3' A:SAM407 5.0 18.1 0.5 SG A:CYS67 5.0 15.1 1.0

Y.Nicolet, J.K.Rubach, M.C.Posewitz, P.Amara, C.Mathevon, M.Atta, M.Fontecave, J.C.Fontecilla-Camps. X-Ray Structure of the [Fefe]-Hydrogenase Maturase Hyde From Thermotoga Maritima* Journal of Biological V. 283 18861 2008CHEMISTRY.
DOI: 10.1074/JBC.M801161200