Iron in PDB 6wz7: Mn-Bound Structure of A TRICYT3 Variant

The structure of Mn-Bound Structure of A TRICYT3 Variant, PDB code: 6wz7 was solved by F.A.Tezcan, A.Kakkis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.40 / 2.30
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	140.978, 81.847, 53.385, 90.00, 90.04, 90.00
R / Rfree (%)	18 / 21.9

The structure of Mn-Bound Structure of A TRICYT3 Variant also contains other interesting chemical elements:

Manganese	(Mn)	1 atom
Calcium	(Ca)	9 atoms
Chlorine	(Cl)	5 atoms

The binding sites of Iron atom in the Mn-Bound Structure of A TRICYT3 Variant (pdb code 6wz7). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 3 binding sites of Iron where determined in the Mn-Bound Structure of A TRICYT3 Variant, PDB code: 6wz7:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in the Mn-Bound Structure of A TRICYT3 Variant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Mn-Bound Structure of A TRICYT3 Variant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:34.8 occ:1.00 FE A:HEC201 0.0 34.8 1.0 NA A:HEC201 2.0 38.2 1.0 ND A:HEC201 2.0 34.3 1.0 NB A:HEC201 2.1 33.8 1.0 NC A:HEC201 2.1 29.9 1.0 NE2 A:HIS102 2.2 35.1 1.0 SD A:MET7 2.5 31.0 1.0 C4A A:HEC201 3.0 37.4 1.0 C4D A:HEC201 3.0 36.0 1.0 C1B A:HEC201 3.1 33.1 1.0 C1A A:HEC201 3.1 30.1 1.0 C1D A:HEC201 3.1 32.1 1.0 C4B A:HEC201 3.1 32.2 1.0 CD2 A:HIS102 3.1 29.0 1.0 C1C A:HEC201 3.1 28.2 1.0 C4C A:HEC201 3.1 32.6 1.0 CE1 A:HIS102 3.2 32.3 1.0 CHB A:HEC201 3.4 29.4 1.0 CHA A:HEC201 3.4 29.8 1.0 CHC A:HEC201 3.4 33.9 1.0 CHD A:HEC201 3.5 32.1 1.0 CG A:MET7 3.5 32.8 1.0 CE A:MET7 3.5 29.7 1.0 CB A:MET7 4.2 28.4 1.0 C3A A:HEC201 4.3 36.7 1.0 CG A:HIS102 4.3 33.8 1.0 C2A A:HEC201 4.3 41.3 1.0 C2D A:HEC201 4.3 28.6 1.0 C3D A:HEC201 4.3 35.6 1.0 C2B A:HEC201 4.3 33.6 1.0 C3B A:HEC201 4.3 27.0 1.0 ND1 A:HIS102 4.3 39.8 1.0 C2C A:HEC201 4.3 26.8 1.0 C3C A:HEC201 4.4 27.7 1.0 CA A:MET7 5.0 33.2 1.0

Iron binding site 2 out of 3 in the Mn-Bound Structure of A TRICYT3 Variant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Mn-Bound Structure of A TRICYT3 Variant within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:35.7 occ:1.00 FE B:HEC201 0.0 35.7 1.0 NB B:HEC201 2.0 36.2 1.0 NA B:HEC201 2.0 38.0 1.0 ND B:HEC201 2.1 37.1 1.0 NC B:HEC201 2.1 27.4 1.0 NE2 B:HIS102 2.2 32.5 1.0 SD B:MET7 2.5 32.2 1.0 C4B B:HEC201 3.0 34.2 1.0 C1A B:HEC201 3.0 31.7 1.0 C1B B:HEC201 3.1 37.8 1.0 C1C B:HEC201 3.1 27.6 1.0 CD2 B:HIS102 3.1 29.8 1.0 C4D B:HEC201 3.1 34.7 1.0 C4A B:HEC201 3.1 34.7 1.0 C1D B:HEC201 3.1 35.1 1.0 C4C B:HEC201 3.1 30.6 1.0 CE1 B:HIS102 3.2 30.5 1.0 CHC B:HEC201 3.4 35.0 1.0 CHA B:HEC201 3.4 28.6 1.0 CHB B:HEC201 3.5 33.5 1.0 CE B:MET7 3.5 29.0 1.0 CHD B:HEC201 3.5 36.0 1.0 CG B:MET7 3.6 31.1 1.0 CB B:MET7 4.2 33.1 1.0 C3B B:HEC201 4.2 29.4 1.0 CG B:HIS102 4.2 34.5 1.0 C2B B:HEC201 4.3 32.2 1.0 C2A B:HEC201 4.3 42.4 1.0 C3A B:HEC201 4.3 36.5 1.0 ND1 B:HIS102 4.3 34.8 1.0 C3D B:HEC201 4.3 37.0 1.0 C2D B:HEC201 4.3 27.0 1.0 C2C B:HEC201 4.3 29.9 1.0 C3C B:HEC201 4.4 30.2 1.0 NH2 B:ARG106 4.9 36.8 0.6 NE B:ARG106 4.9 39.4 0.4

Iron binding site 3 out of 3 in the Mn-Bound Structure of A TRICYT3 Variant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Mn-Bound Structure of A TRICYT3 Variant within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe201 b:33.4 occ:1.00 FE C:HEC201 0.0 33.4 1.0 ND C:HEC201 2.0 36.1 1.0 NB C:HEC201 2.0 31.5 1.0 NA C:HEC201 2.1 37.4 1.0 NC C:HEC201 2.1 30.7 1.0 NE2 C:HIS102 2.2 32.0 1.0 SD C:MET7 2.5 30.7 1.0 C4D C:HEC201 3.0 33.8 1.0 C1A C:HEC201 3.1 32.7 1.0 C4B C:HEC201 3.1 33.5 1.0 CD2 C:HIS102 3.1 28.6 1.0 C1D C:HEC201 3.1 37.1 1.0 C4A C:HEC201 3.1 33.7 1.0 C1B C:HEC201 3.1 37.2 1.0 C1C C:HEC201 3.1 25.7 1.0 C4C C:HEC201 3.2 30.9 1.0 CE1 C:HIS102 3.2 35.2 1.0 CHA C:HEC201 3.4 28.6 1.0 CE C:MET7 3.4 31.1 1.0 CHC C:HEC201 3.4 32.8 1.0 CHB C:HEC201 3.5 27.6 1.0 CHD C:HEC201 3.5 29.7 1.0 CG C:MET7 3.5 32.2 1.0 CB C:MET7 4.2 29.2 1.0 CG C:HIS102 4.3 29.5 1.0 C3D C:HEC201 4.3 35.8 1.0 C2D C:HEC201 4.3 31.0 1.0 C2A C:HEC201 4.3 42.9 1.0 C3A C:HEC201 4.3 37.1 1.0 C2B C:HEC201 4.3 31.5 1.0 C3B C:HEC201 4.3 27.7 1.0 ND1 C:HIS102 4.3 37.5 1.0 C2C C:HEC201 4.3 30.6 1.0 C3C C:HEC201 4.4 28.8 1.0 NE C:ARG106 5.0 42.6 0.5

F.A.Tezcan, A.Kakkis, D.Gagnon, J.Esselborn, R.D.Britt. Metal-Templated Design of Chemically Switchable Protein Assemblies with High-Affinity Coordination Sites. Angew.Chem.Int.Ed.Engl. 2020.
ISSN: ESSN 1521-3773
PubMed: 32830423
DOI: 10.1002/ANIE.202009226