Iodine in PDB 7o1t: Fe(Co)2CNCL Species Bound [Hyde From T. Maritima

The structure of Fe(Co)2CNCL Species Bound [Hyde From T. Maritima, PDB code: 7o1t 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)	9.93 / 1.50
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	63.54, 82.83, 70.4, 90, 90, 90
R / Rfree (%)	16.7 / 19.5

The structure of Fe(Co)2CNCL Species Bound [Hyde From T. Maritima also contains other interesting chemical elements:

Chlorine	(Cl)	1 atom
Iron	(Fe)	6 atoms

The binding sites of Iodine atom in the Fe(Co)2CNCL Species Bound [Hyde From T. Maritima (pdb code 7o1t). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 2 binding sites of Iodine where determined in the Fe(Co)2CNCL Species Bound [Hyde From T. Maritima, PDB code: 7o1t:
Jump to Iodine binding site number: 1; 2;

Iodine binding site 1 out of 2 in the Fe(Co)2CNCL Species Bound [Hyde From T. Maritima


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Fe(Co)2CNCL Species Bound [Hyde From T. Maritima within 5.0Å range: probe atom residue distance (Å) B Occ A:I415 b:19.8 occ:0.43 I A:IOD415 0.0 19.8 0.4 N A:CYN414 0.9 17.9 0.3 C A:CYN414 1.2 17.0 0.3 FE A:FE2411 2.8 16.2 0.3 C A:CMO413 2.9 15.8 0.3 I A:IOD415 3.2 33.3 0.1 OG1 A:THR134 3.2 14.2 1.0 O A:CMO413 3.5 16.7 0.3 CL A:CL410 3.5 19.9 0.3 NE A:ARG54 3.6 18.2 1.0 NH1 A:ARG155 3.6 14.7 1.0 SD A:MET224 3.8 18.7 0.5 CD A:ARG54 3.9 18.2 1.0 CB A:THR134 3.9 13.8 1.0 CG2 A:THR134 3.9 11.4 1.0 CG A:ARG54 4.0 20.0 1.0 CD A:ARG155 4.1 15.4 1.0 CG2 A:THR103 4.2 15.3 1.0 CZ A:ARG54 4.2 18.1 1.0 CG2 A:VAL105 4.3 15.9 1.0 CE A:MET224 4.4 26.1 0.5 CE A:MET224 4.4 15.1 0.5 CB A:ARG54 4.5 18.0 1.0 NH2 A:ARG54 4.5 18.7 1.0 C A:CMO412 4.5 15.4 0.5 CZ A:ARG155 4.6 14.0 1.0 NE A:ARG155 4.8 13.6 1.0 CE A:MET291 4.8 21.3 0.6 CB A:ARG155 4.9 15.0 1.0 CG A:ARG155 5.0 12.4 1.0

Iodine binding site 2 out of 2 in the Fe(Co)2CNCL Species Bound [Hyde From T. Maritima


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Fe(Co)2CNCL Species Bound [Hyde From T. Maritima within 5.0Å range: probe atom residue distance (Å) B Occ A:I415 b:33.3 occ:0.15 I A:IOD415 0.0 33.3 0.1 CL A:CL410 0.6 19.9 0.3 FE A:FE2411 1.8 16.2 0.3 C A:CYN414 2.3 17.0 0.3 C A:CMO412 2.8 15.4 0.5 I A:IOD415 3.2 19.8 0.4 N A:CYN414 3.2 17.9 0.3 C A:CMO413 3.2 15.8 0.3 SD A:MET224 3.5 18.7 0.5 NE A:ARG54 3.6 18.2 1.0 O A:CMO412 3.8 14.9 0.5 CG1 A:VAL289 3.9 14.2 1.0 CG A:MET224 3.9 17.1 0.5 NH2 A:ARG54 4.0 18.7 1.0 CB A:MET224 4.1 11.9 0.5 CB A:MET224 4.2 34.8 0.5 CZ A:ARG54 4.3 18.1 1.0 CE A:MET291 4.3 43.4 0.4 O A:CMO413 4.3 16.7 0.3 CG A:MET224 4.3 20.6 0.5 CG A:ARG54 4.3 20.0 1.0 CG2 A:VAL289 4.4 16.4 1.0 CB A:ASN264 4.4 13.7 1.0 CD A:PRO266 4.5 15.7 1.0 SD A:MET291 4.5 24.7 0.6 CD A:ARG54 4.5 18.2 1.0 CB A:VAL289 4.6 14.7 1.0 CE A:MET224 4.7 26.1 0.5 O A:ASN264 4.9 16.4 1.0 CG A:PRO266 4.9 18.1 1.0 CE A:MET224 5.0 15.1 0.5

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