Iron in PDB 4jeb: Crystal Structure of An Engineered RIDC1 Tetramer with Four Interfacial Disulfide Bonds and Four Three-Coordinate Zn(II) Sites

The structure of Crystal Structure of An Engineered RIDC1 Tetramer with Four Interfacial Disulfide Bonds and Four Three-Coordinate Zn(II) Sites, PDB code: 4jeb was solved by F.A.Tezcan, A.M.Medina-Morales, A.Perez, J.D.Brodin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.55 / 2.30
Space group	P 31 1 2
Cell size a, b, c (Å), α, β, γ (°)	54.942, 54.942, 145.658, 90.00, 90.00, 120.00
R / Rfree (%)	24.4 / 30.9

The structure of Crystal Structure of An Engineered RIDC1 Tetramer with Four Interfacial Disulfide Bonds and Four Three-Coordinate Zn(II) Sites also contains other interesting chemical elements:

Zinc

(Zn)

3 atoms

The binding sites of Iron atom in the Crystal Structure of An Engineered RIDC1 Tetramer with Four Interfacial Disulfide Bonds and Four Three-Coordinate Zn(II) Sites (pdb code 4jeb). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of An Engineered RIDC1 Tetramer with Four Interfacial Disulfide Bonds and Four Three-Coordinate Zn(II) Sites, PDB code: 4jeb:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of An Engineered RIDC1 Tetramer with Four Interfacial Disulfide Bonds and Four Three-Coordinate Zn(II) Sites


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 An Engineered RIDC1 Tetramer with Four Interfacial Disulfide Bonds and Four Three-Coordinate Zn(II) Sites within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:47.0 occ:1.00 FE A:HEM201 0.0 47.0 1.0 ND A:HEM201 2.0 46.6 1.0 NA A:HEM201 2.0 49.9 1.0 NC A:HEM201 2.1 44.8 1.0 NB A:HEM201 2.1 43.9 1.0 NE2 A:HIS102 2.1 49.7 1.0 SD A:MET7 2.4 48.5 1.0 C4D A:HEM201 3.0 49.5 1.0 C1D A:HEM201 3.0 47.6 1.0 C1A A:HEM201 3.0 48.7 1.0 CE1 A:HIS102 3.0 49.1 1.0 C4A A:HEM201 3.1 50.6 1.0 C4C A:HEM201 3.1 45.9 1.0 C4B A:HEM201 3.1 43.1 1.0 C1B A:HEM201 3.1 46.3 1.0 CD2 A:HIS102 3.1 49.0 1.0 C1C A:HEM201 3.1 42.9 1.0 CHA A:HEM201 3.4 49.4 1.0 CHD A:HEM201 3.4 45.9 1.0 CE A:MET7 3.5 42.0 1.0 CHB A:HEM201 3.5 47.5 1.0 CHC A:HEM201 3.5 41.6 1.0 CG A:MET7 3.6 45.4 1.0 ND1 A:HIS102 4.2 50.4 1.0 C2D A:HEM201 4.2 47.9 1.0 CG A:HIS102 4.2 52.0 1.0 C3D A:HEM201 4.2 51.5 1.0 CB A:MET7 4.2 46.5 1.0 C2A A:HEM201 4.3 51.9 1.0 C3A A:HEM201 4.3 50.0 1.0 C2B A:HEM201 4.3 41.0 1.0 C3B A:HEM201 4.3 42.2 1.0 C3C A:HEM201 4.3 42.4 1.0 C2C A:HEM201 4.4 43.3 1.0

Iron binding site 2 out of 2 in the Crystal Structure of An Engineered RIDC1 Tetramer with Four Interfacial Disulfide Bonds and Four Three-Coordinate Zn(II) Sites


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 An Engineered RIDC1 Tetramer with Four Interfacial Disulfide Bonds and Four Three-Coordinate Zn(II) Sites within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:49.6 occ:1.00 FE B:HEM201 0.0 49.6 1.0 ND B:HEM201 2.0 46.4 1.0 NB B:HEM201 2.0 44.3 1.0 NE2 B:HIS102 2.0 49.9 1.0 NC B:HEM201 2.1 45.1 1.0 NA B:HEM201 2.1 49.7 1.0 SD B:MET7 2.5 48.1 1.0 CE1 B:HIS102 3.0 48.7 1.0 C1D B:HEM201 3.0 48.1 1.0 C4B B:HEM201 3.0 43.2 1.0 C4D B:HEM201 3.0 49.6 1.0 C4C B:HEM201 3.1 46.0 1.0 C1B B:HEM201 3.1 46.6 1.0 CD2 B:HIS102 3.1 49.4 1.0 C1C B:HEM201 3.1 42.7 1.0 C1A B:HEM201 3.1 48.7 1.0 C4A B:HEM201 3.2 50.5 1.0 CHD B:HEM201 3.4 45.7 1.0 CE B:MET7 3.4 42.8 1.0 CHA B:HEM201 3.4 50.0 1.0 CHC B:HEM201 3.4 41.7 1.0 CHB B:HEM201 3.5 47.4 1.0 CG B:MET7 3.6 46.0 1.0 ND1 B:HIS102 4.1 50.1 1.0 CG B:HIS102 4.2 51.8 1.0 C3B B:HEM201 4.2 42.3 1.0 C2B B:HEM201 4.3 41.2 1.0 C2D B:HEM201 4.3 47.3 1.0 C3D B:HEM201 4.3 50.4 1.0 C2C B:HEM201 4.3 43.1 1.0 C3C B:HEM201 4.3 42.3 1.0 CB B:MET7 4.3 46.8 1.0 C2A B:HEM201 4.4 52.2 1.0 C3A B:HEM201 4.4 50.0 1.0

A.Medina-Morales, A.Perez, J.D.Brodin, F.A.Tezcan. In Vitro and Cellular Self-Assembly of A Zn-Binding Protein Cryptand Via Templated Disulfide Bonds. J.Am.Chem.Soc. V. 135 12013 2013.
ISSN: ISSN 0002-7863
PubMed: 23905754
DOI: 10.1021/JA405318D