Iron in PDB 3qvy: Crystal Structure of the Zn-RIDC1 Complex Stabilized By Bmoe Crosslinks

The structure of Crystal Structure of the Zn-RIDC1 Complex Stabilized By Bmoe Crosslinks, PDB code: 3qvy was solved by E.N.Salgado, F.A.Tezcan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.51 / 2.30
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	52.088, 52.088, 253.943, 90.00, 90.00, 120.00
R / Rfree (%)	24.2 / 28.6

The structure of Crystal Structure of the Zn-RIDC1 Complex Stabilized By Bmoe Crosslinks also contains other interesting chemical elements:

Zinc

(Zn)

13 atoms

The binding sites of Iron atom in the Crystal Structure of the Zn-RIDC1 Complex Stabilized By Bmoe Crosslinks (pdb code 3qvy). 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 the Zn-RIDC1 Complex Stabilized By Bmoe Crosslinks, PDB code: 3qvy:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of the Zn-RIDC1 Complex Stabilized By Bmoe Crosslinks


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 the Zn-RIDC1 Complex Stabilized By Bmoe Crosslinks within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe150 b:23.9 occ:1.00 FE A:HEM150 0.0 23.9 1.0 NE2 A:HIS102 1.9 27.3 1.0 NB A:HEM150 2.0 23.1 1.0 ND A:HEM150 2.0 21.3 1.0 NC A:HEM150 2.1 21.6 1.0 NA A:HEM150 2.1 20.8 1.0 SD A:MET7 2.3 27.9 1.0 CE1 A:HIS102 2.9 26.6 1.0 CD2 A:HIS102 2.9 27.7 1.0 C4B A:HEM150 3.0 22.0 1.0 C4D A:HEM150 3.0 24.4 1.0 C1B A:HEM150 3.0 24.8 1.0 C1D A:HEM150 3.0 24.8 1.0 C1C A:HEM150 3.0 21.9 1.0 C4A A:HEM150 3.1 23.7 1.0 C4C A:HEM150 3.1 23.3 1.0 C1A A:HEM150 3.1 21.7 1.0 CE A:MET7 3.2 28.3 1.0 CHC A:HEM150 3.3 20.2 1.0 CG A:MET7 3.4 32.8 1.0 CHB A:HEM150 3.4 26.6 1.0 CHA A:HEM150 3.4 22.6 1.0 CHD A:HEM150 3.5 22.0 1.0 ND1 A:HIS102 4.0 30.2 1.0 CG A:HIS102 4.0 30.4 1.0 CB A:MET7 4.1 33.4 1.0 C3B A:HEM150 4.2 20.7 1.0 C2B A:HEM150 4.2 24.7 1.0 C3D A:HEM150 4.2 25.9 1.0 C2D A:HEM150 4.2 21.9 1.0 C2C A:HEM150 4.3 22.4 1.0 C3A A:HEM150 4.3 24.1 1.0 C3C A:HEM150 4.4 21.5 1.0 C2A A:HEM150 4.4 25.2 1.0 NH2 A:ARG106 4.7 43.7 1.0 CA A:MET7 4.9 33.8 1.0

Iron binding site 2 out of 4 in the Crystal Structure of the Zn-RIDC1 Complex Stabilized By Bmoe Crosslinks


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 the Zn-RIDC1 Complex Stabilized By Bmoe Crosslinks within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe150 b:32.0 occ:1.00 FE B:HEM150 0.0 32.0 1.0 NB B:HEM150 1.9 28.4 1.0 ND B:HEM150 2.0 33.2 1.0 NE2 B:HIS102 2.0 27.4 1.0 NC B:HEM150 2.0 31.4 1.0 NA B:HEM150 2.3 33.6 1.0 SD B:MET7 2.5 29.4 1.0 CD2 B:HIS102 2.9 27.9 1.0 C4B B:HEM150 2.9 29.1 1.0 C4D B:HEM150 2.9 34.5 1.0 C1C B:HEM150 3.0 28.4 1.0 CE1 B:HIS102 3.0 26.7 1.0 C1D B:HEM150 3.0 33.5 1.0 C1B B:HEM150 3.0 30.4 1.0 C4C B:HEM150 3.1 30.5 1.0 CE B:MET7 3.2 28.4 1.0 CHC B:HEM150 3.3 26.8 1.0 C1A B:HEM150 3.3 36.9 1.0 C4A B:HEM150 3.3 34.7 1.0 CG B:MET7 3.3 33.1 1.0 CHA B:HEM150 3.4 35.1 1.0 CHD B:HEM150 3.4 31.4 1.0 CHB B:HEM150 3.6 32.5 1.0 CG B:HIS102 4.0 30.3 1.0 ND1 B:HIS102 4.1 30.9 1.0 CB B:MET7 4.1 33.6 1.0 C3D B:HEM150 4.2 37.9 1.0 C3B B:HEM150 4.2 27.1 1.0 C2D B:HEM150 4.2 32.8 1.0 C2B B:HEM150 4.2 28.5 1.0 C2C B:HEM150 4.2 30.0 1.0 C3C B:HEM150 4.3 27.7 1.0 C3A B:HEM150 4.6 37.2 1.0 C2A B:HEM150 4.6 38.0 1.0 CD B:ARG106 5.0 40.4 1.0 CA B:MET7 5.0 34.0 1.0

Iron binding site 3 out of 4 in the Crystal Structure of the Zn-RIDC1 Complex Stabilized By Bmoe Crosslinks


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 the Zn-RIDC1 Complex Stabilized By Bmoe Crosslinks within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe150 b:23.6 occ:1.00 FE C:HEM150 0.0 23.6 1.0 NB C:HEM150 1.9 24.0 1.0 NE2 C:HIS102 1.9 27.1 1.0 ND C:HEM150 2.0 23.9 1.0 NC C:HEM150 2.1 24.9 1.0 NA C:HEM150 2.2 23.4 1.0 SD C:MET7 2.2 28.2 1.0 C4B C:HEM150 2.9 22.5 1.0 CD2 C:HIS102 2.9 27.5 1.0 CE1 C:HIS102 2.9 26.9 1.0 C4D C:HEM150 3.0 26.5 1.0 C1B C:HEM150 3.0 25.0 1.0 C1D C:HEM150 3.0 27.3 1.0 C1C C:HEM150 3.1 22.0 1.0 C1A C:HEM150 3.1 25.6 1.0 C4C C:HEM150 3.2 25.5 1.0 C4A C:HEM150 3.2 26.7 1.0 CE C:MET7 3.2 28.4 1.0 CG C:MET7 3.3 32.8 1.0 CHC C:HEM150 3.3 20.5 1.0 CHA C:HEM150 3.4 25.6 1.0 CHD C:HEM150 3.5 26.1 1.0 CHB C:HEM150 3.5 25.4 1.0 ND1 C:HIS102 4.0 30.3 1.0 CB C:MET7 4.0 33.4 1.0 CG C:HIS102 4.0 30.4 1.0 C3B C:HEM150 4.1 19.7 1.0 C2B C:HEM150 4.2 23.8 1.0 C3D C:HEM150 4.2 29.5 1.0 C2D C:HEM150 4.3 24.3 1.0 C2C C:HEM150 4.3 23.1 1.0 C3C C:HEM150 4.4 22.5 1.0 C3A C:HEM150 4.4 27.0 1.0 C2A C:HEM150 4.5 27.6 1.0 NH2 C:ARG106 4.6 43.9 1.0 CA C:MET7 4.9 33.8 1.0

Iron binding site 4 out of 4 in the Crystal Structure of the Zn-RIDC1 Complex Stabilized By Bmoe Crosslinks


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 the Zn-RIDC1 Complex Stabilized By Bmoe Crosslinks within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe150 b:30.5 occ:1.00 FE D:HEM150 0.0 30.5 1.0 NC D:HEM150 2.0 29.3 1.0 NE2 D:HIS102 2.0 27.4 1.0 NB D:HEM150 2.0 26.4 1.0 ND D:HEM150 2.0 28.6 1.0 NA D:HEM150 2.1 29.4 1.0 SD D:MET7 2.2 29.6 1.0 CD2 D:HIS102 2.9 27.9 1.0 C1C D:HEM150 2.9 26.2 1.0 C4B D:HEM150 3.0 26.8 1.0 CE1 D:HIS102 3.0 26.9 1.0 C1A D:HEM150 3.0 31.3 1.0 C4D D:HEM150 3.0 27.3 1.0 C4C D:HEM150 3.0 29.1 1.0 C1B D:HEM150 3.1 28.9 1.0 C1D D:HEM150 3.1 28.9 1.0 C4A D:HEM150 3.1 30.3 1.0 CE D:MET7 3.2 28.4 1.0 CHC D:HEM150 3.3 24.2 1.0 CHA D:HEM150 3.3 28.6 1.0 CG D:MET7 3.3 33.2 1.0 CHD D:HEM150 3.4 28.2 1.0 CHB D:HEM150 3.5 30.4 1.0 CG D:HIS102 4.1 30.4 1.0 ND1 D:HIS102 4.1 30.6 1.0 C2C D:HEM150 4.2 28.1 1.0 CB D:MET7 4.2 33.8 1.0 C3C D:HEM150 4.2 27.9 1.0 C3B D:HEM150 4.2 23.8 1.0 C2A D:HEM150 4.3 31.0 1.0 C2B D:HEM150 4.3 27.5 1.0 C3A D:HEM150 4.3 30.4 1.0 C3D D:HEM150 4.3 28.1 1.0 C2D D:HEM150 4.3 24.7 1.0 CA D:MET7 5.0 34.0 1.0

E.N.Salgado, J.D.Brodin, M.M.To, F.A.Tezcan. Templated Construction of A Zn-Selective Protein Dimerization Motif. Inorg.Chem. V. 50 6323 2011.
ISSN: ISSN 0020-1669
PubMed: 21648390
DOI: 10.1021/IC200746M