Iron in PDB 3fnv: Crystal Structure of MINER1: the Redox-Active 2FE-2S Protein Causative in Wolfram Syndrome 2

The structure of Crystal Structure of MINER1: the Redox-Active 2FE-2S Protein Causative in Wolfram Syndrome 2, PDB code: 3fnv was solved by A.R.Conlan, H.L.Axelrod, A.E.Cohen, E.C.Abresch, D.Yee, J.Zuris, R.Nechushtai, P.A.Jennings, M.L.Paddock, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.06 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	40.904, 48.579, 74.104, 90.00, 90.00, 90.00
R / Rfree (%)	17 / 21.6

The binding sites of Iron atom in the Crystal Structure of MINER1: the Redox-Active 2FE-2S Protein Causative in Wolfram Syndrome 2 (pdb code 3fnv). 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 MINER1: the Redox-Active 2FE-2S Protein Causative in Wolfram Syndrome 2, PDB code: 3fnv:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of MINER1: the Redox-Active 2FE-2S Protein Causative in Wolfram Syndrome 2


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 MINER1: the Redox-Active 2FE-2S Protein Causative in Wolfram Syndrome 2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe200 b:34.0 occ:1.00 FE1 A:FES200 0.0 34.0 1.0 S1 A:FES200 2.2 32.5 1.0 S2 A:FES200 2.2 32.3 1.0 SG A:CYS101 2.3 32.6 1.0 SG A:CYS99 2.4 32.7 1.0 FE2 A:FES200 2.7 33.2 1.0 CB A:CYS99 3.3 31.3 1.0 CB A:CYS101 3.4 34.3 1.0 N A:CYS101 3.6 34.0 1.0 CA A:CYS99 3.7 31.5 1.0 CA A:CYS101 4.0 32.4 1.0 N A:ARG100 4.0 32.6 1.0 CB A:HIS114 4.1 34.4 1.0 N A:HIS114 4.2 33.7 1.0 C A:CYS99 4.3 32.3 1.0 ND1 A:HIS114 4.3 30.8 1.0 N A:TRP102 4.4 30.6 1.0 N A:SER104 4.4 32.2 1.0 CB A:SER104 4.5 34.2 1.0 C A:CYS101 4.5 33.7 1.0 CA A:HIS114 4.5 32.6 1.0 N A:ARG103 4.6 32.8 1.0 CG A:HIS114 4.7 33.8 1.0 SG A:CYS110 4.7 33.7 1.0 C A:ARG100 4.7 31.3 1.0 CA A:CYS110 4.8 34.0 1.0 CB A:CYS110 4.8 34.0 1.0 CA A:SER104 4.9 33.1 1.0 N A:CYS99 4.9 30.8 1.0 CA A:ARG100 5.0 31.3 1.0 C A:SER113 5.0 32.2 1.0

Iron binding site 2 out of 4 in the Crystal Structure of MINER1: the Redox-Active 2FE-2S Protein Causative in Wolfram Syndrome 2


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 MINER1: the Redox-Active 2FE-2S Protein Causative in Wolfram Syndrome 2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe200 b:33.2 occ:1.00 FE2 A:FES200 0.0 33.2 1.0 S1 A:FES200 2.2 32.5 1.0 ND1 A:HIS114 2.2 30.8 1.0 S2 A:FES200 2.2 32.3 1.0 SG A:CYS110 2.4 33.7 1.0 FE1 A:FES200 2.7 34.0 1.0 CE1 A:HIS114 3.1 38.0 1.0 CG A:HIS114 3.2 33.8 1.0 CB A:CYS110 3.4 34.0 1.0 CB A:HIS114 3.5 34.4 1.0 N A:HIS114 3.9 33.7 1.0 CA A:CYS110 3.9 34.0 1.0 N A:GLY112 4.0 33.1 1.0 NE2 A:HIS114 4.2 34.3 1.0 CD2 A:HIS114 4.3 38.4 1.0 CA A:GLY112 4.3 33.5 1.0 CA A:HIS114 4.3 32.6 1.0 N A:ASP111 4.4 33.6 1.0 N A:SER113 4.4 34.3 1.0 CD A:PRO127 4.4 29.0 1.0 CB A:PRO127 4.4 30.2 1.0 SG A:CYS101 4.4 32.6 1.0 C A:CYS110 4.5 35.0 1.0 C A:GLY112 4.6 35.7 1.0 CG A:PRO127 4.6 32.8 1.0 CA A:CYS99 4.6 31.5 1.0 SG A:CYS99 4.7 32.7 1.0 N A:PRO127 4.7 32.8 1.0 CB A:CYS99 4.7 31.3 1.0 CA A:PRO127 5.0 32.5 1.0 C A:SER113 5.0 32.2 1.0

Iron binding site 3 out of 4 in the Crystal Structure of MINER1: the Redox-Active 2FE-2S Protein Causative in Wolfram Syndrome 2


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 MINER1: the Redox-Active 2FE-2S Protein Causative in Wolfram Syndrome 2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe200 b:33.6 occ:1.00 FE1 B:FES200 0.0 33.6 1.0 S1 B:FES200 2.2 32.7 1.0 S2 B:FES200 2.2 33.0 1.0 SG B:CYS101 2.3 34.2 1.0 SG B:CYS99 2.4 31.9 1.0 FE2 B:FES200 2.7 33.7 1.0 CB B:CYS99 3.3 31.7 1.0 CB B:CYS101 3.4 33.2 1.0 N B:CYS101 3.6 35.5 1.0 CA B:CYS99 3.7 31.4 1.0 N B:ARG100 4.0 30.8 1.0 CA B:CYS101 4.0 32.8 1.0 CB B:HIS114 4.1 34.4 1.0 N B:HIS114 4.2 33.6 1.0 C B:CYS99 4.3 32.7 1.0 N B:SER104 4.3 31.1 1.0 ND1 B:HIS114 4.4 30.6 1.0 N B:TRP102 4.4 31.3 1.0 CB B:SER104 4.4 33.4 1.0 CA B:HIS114 4.5 33.4 1.0 C B:CYS101 4.5 32.6 1.0 N B:ARG103 4.6 32.8 1.0 CG B:HIS114 4.7 33.8 1.0 SG B:CYS110 4.7 33.9 1.0 C B:ARG100 4.7 31.9 1.0 CB B:CYS110 4.8 33.2 1.0 CA B:CYS110 4.8 33.8 1.0 CA B:SER104 4.9 32.7 1.0 C B:SER113 5.0 31.9 1.0 N B:CYS99 5.0 30.8 1.0 CA B:ARG100 5.0 31.4 1.0

Iron binding site 4 out of 4 in the Crystal Structure of MINER1: the Redox-Active 2FE-2S Protein Causative in Wolfram Syndrome 2


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 MINER1: the Redox-Active 2FE-2S Protein Causative in Wolfram Syndrome 2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe200 b:33.7 occ:1.00 FE2 B:FES200 0.0 33.7 1.0 S1 B:FES200 2.2 32.7 1.0 ND1 B:HIS114 2.2 30.6 1.0 S2 B:FES200 2.2 33.0 1.0 SG B:CYS110 2.4 33.9 1.0 FE1 B:FES200 2.7 33.6 1.0 CE1 B:HIS114 3.1 38.1 1.0 CG B:HIS114 3.2 33.8 1.0 CB B:CYS110 3.3 33.2 1.0 CB B:HIS114 3.6 34.4 1.0 N B:HIS114 3.8 33.6 1.0 CA B:CYS110 3.9 33.8 1.0 N B:GLY112 4.0 33.5 1.0 NE2 B:HIS114 4.2 31.9 1.0 CD2 B:HIS114 4.3 36.5 1.0 CD B:PRO127 4.3 32.5 1.0 CA B:HIS114 4.3 33.4 1.0 N B:ASP111 4.3 33.3 1.0 N B:SER113 4.4 32.2 1.0 CB B:PRO127 4.4 34.4 1.0 CA B:GLY112 4.4 34.3 1.0 C B:CYS110 4.4 33.7 1.0 SG B:CYS101 4.5 34.2 1.0 C B:GLY112 4.6 33.1 1.0 CG B:PRO127 4.6 30.9 1.0 CA B:CYS99 4.6 31.4 1.0 SG B:CYS99 4.7 31.9 1.0 N B:PRO127 4.7 31.0 1.0 CB B:CYS99 4.7 31.7 1.0 C B:SER113 4.9 31.9 1.0 CA B:PRO127 5.0 33.0 1.0

A.R.Conlan, H.L.Axelrod, A.E.Cohen, E.C.Abresch, J.Zuris, D.Yee, R.Nechushtai, P.A.Jennings, M.L.Paddock. Crystal Structure of MINER1: the Redox-Active 2FE-2S Protein Causative in Wolfram Syndrome 2. J.Mol.Biol. V. 392 143 2009.
ISSN: ISSN 0022-2836
PubMed: 19580816
DOI: 10.1016/J.JMB.2009.06.079