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

Protein crystallography data

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

Other elements in 6wz7:

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

Iron Binding Sites:

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 6wz7

Go back to Iron Binding Sites List in 6wz7
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 6wz7

Go back to Iron Binding Sites List in 6wz7
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 6wz7

Go back to Iron Binding Sites List in 6wz7
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

Reference:

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
Page generated: Sun Dec 13 17:27:18 2020

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