Iron in PDB 4je9: Crystal Structure of An Engineered Metal-Free RIDC1 Construct with Four Interfacial Disulfide Bonds

The structure of Crystal Structure of An Engineered Metal-Free RIDC1 Construct with Four Interfacial Disulfide Bonds, PDB code: 4je9 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)	48.02 / 2.12
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	56.166, 87.788, 96.046, 90.00, 90.00, 90.00
R / Rfree (%)	22.9 / 30.2

The binding sites of Iron atom in the Crystal Structure of An Engineered Metal-Free RIDC1 Construct with Four Interfacial Disulfide Bonds (pdb code 4je9). 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 Metal-Free RIDC1 Construct with Four Interfacial Disulfide Bonds, PDB code: 4je9:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of An Engineered Metal-Free RIDC1 Construct with Four Interfacial Disulfide Bonds


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 Metal-Free RIDC1 Construct with Four Interfacial Disulfide Bonds within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:55.5 occ:1.00 FE A:HEM201 0.0 55.5 1.0 NC A:HEM201 2.0 50.0 1.0 NA A:HEM201 2.0 57.9 1.0 NE2 A:HIS102 2.0 60.0 1.0 NB A:HEM201 2.1 55.3 1.0 ND A:HEM201 2.1 56.3 1.0 SD A:MET7 2.4 53.5 1.0 CD2 A:HIS102 3.0 58.0 1.0 C1C A:HEM201 3.0 51.0 1.0 C4C A:HEM201 3.0 50.6 1.0 C4A A:HEM201 3.0 59.6 1.0 CE1 A:HIS102 3.1 58.9 1.0 C1A A:HEM201 3.1 62.9 1.0 C4B A:HEM201 3.1 52.6 1.0 C1B A:HEM201 3.1 54.5 1.0 C1D A:HEM201 3.1 56.7 1.0 C4D A:HEM201 3.1 60.0 1.0 CG A:MET7 3.3 57.9 1.0 CE A:MET7 3.3 55.6 1.0 CHD A:HEM201 3.4 54.6 1.0 CHC A:HEM201 3.4 48.5 1.0 CHB A:HEM201 3.4 58.9 1.0 CHA A:HEM201 3.5 63.1 1.0 CG A:HIS102 4.1 60.8 1.0 ND1 A:HIS102 4.1 56.4 1.0 C2C A:HEM201 4.2 47.5 1.0 C3C A:HEM201 4.2 49.0 1.0 CB A:MET7 4.2 61.9 1.0 C3A A:HEM201 4.3 62.5 1.0 C2A A:HEM201 4.3 66.4 1.0 C2B A:HEM201 4.3 53.0 1.0 C3B A:HEM201 4.3 52.0 1.0 C3D A:HEM201 4.4 62.5 1.0 C2D A:HEM201 4.4 61.3 1.0

Iron binding site 2 out of 2 in the Crystal Structure of An Engineered Metal-Free RIDC1 Construct with Four Interfacial Disulfide Bonds


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 Metal-Free RIDC1 Construct with Four Interfacial Disulfide Bonds within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:57.6 occ:1.00 FE B:HEM201 0.0 57.6 1.0 NE2 B:HIS102 1.9 60.8 1.0 NA B:HEM201 2.0 58.4 1.0 ND B:HEM201 2.1 61.7 1.0 NB B:HEM201 2.1 52.2 1.0 NC B:HEM201 2.1 56.9 1.0 SD B:MET7 2.3 57.6 1.0 CE1 B:HIS102 2.8 59.6 1.0 C1A B:HEM201 3.0 62.2 1.0 CD2 B:HIS102 3.0 61.0 1.0 C4D B:HEM201 3.0 63.2 1.0 C4A B:HEM201 3.1 56.2 1.0 C4B B:HEM201 3.1 54.2 1.0 C1D B:HEM201 3.1 63.0 1.0 C1C B:HEM201 3.1 57.3 1.0 C1B B:HEM201 3.2 53.4 1.0 C4C B:HEM201 3.2 58.9 1.0 CHA B:HEM201 3.3 64.8 1.0 CG B:MET7 3.4 58.3 1.0 CE B:MET7 3.4 60.5 1.0 CHC B:HEM201 3.5 49.1 1.0 CHB B:HEM201 3.5 55.7 1.0 CHD B:HEM201 3.5 60.7 1.0 ND1 B:HIS102 3.9 64.0 1.0 CG B:HIS102 4.0 62.3 1.0 C2A B:HEM201 4.2 62.6 1.0 CB B:MET7 4.2 57.5 1.0 C3A B:HEM201 4.3 57.2 1.0 C3D B:HEM201 4.3 66.0 1.0 C2D B:HEM201 4.3 66.8 1.0 C3B B:HEM201 4.4 50.6 1.0 C2B B:HEM201 4.4 50.8 1.0 C2C B:HEM201 4.4 57.3 1.0 C3C B:HEM201 4.4 57.5 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