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Iron in PDB 7mk4: Co-Bound Crystal Structure of the Engineered Cyt CB562 Variant, DICYT2

Protein crystallography data

The structure of Co-Bound Crystal Structure of the Engineered Cyt CB562 Variant, DICYT2, PDB code: 7mk4 was solved by T.S.Choi, F.A.Tezcan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.42 / 1.27
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 54.529, 61.075, 64.572, 90, 90, 90
R / Rfree (%) 19.6 / 21.4

Other elements in 7mk4:

The structure of Co-Bound Crystal Structure of the Engineered Cyt CB562 Variant, DICYT2 also contains other interesting chemical elements:

Cobalt (Co) 2 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Co-Bound Crystal Structure of the Engineered Cyt CB562 Variant, DICYT2 (pdb code 7mk4). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Co-Bound Crystal Structure of the Engineered Cyt CB562 Variant, DICYT2, PDB code: 7mk4:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 7mk4

Go back to Iron Binding Sites List in 7mk4
Iron binding site 1 out of 2 in the Co-Bound Crystal Structure of the Engineered Cyt CB562 Variant, DICYT2


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Co-Bound Crystal Structure of the Engineered Cyt CB562 Variant, DICYT2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe201

b:14.9
occ:1.00
FE A:HEC201 0.0 14.9 1.0
ND A:HEC201 2.0 16.0 1.0
NA A:HEC201 2.0 14.4 1.0
NB A:HEC201 2.0 15.2 1.0
NC A:HEC201 2.1 14.9 1.0
NE2 A:HIS102 2.1 15.4 1.0
SD A:MET7 2.4 14.1 1.0
CE1 A:HIS102 3.0 15.2 1.0
C4D A:HEC201 3.0 17.0 1.0
C1A A:HEC201 3.0 16.5 1.0
C1D A:HEC201 3.1 15.0 1.0
C4A A:HEC201 3.1 14.6 1.0
C4B A:HEC201 3.1 13.4 1.0
C1B A:HEC201 3.1 13.1 1.0
C1C A:HEC201 3.1 15.0 1.0
C4C A:HEC201 3.1 13.9 1.0
CD2 A:HIS102 3.1 14.0 1.0
CE A:MET7 3.4 18.6 1.0
CHA A:HEC201 3.4 15.0 1.0
CHC A:HEC201 3.4 12.8 1.0
CHD A:HEC201 3.4 15.8 1.0
CHB A:HEC201 3.5 14.6 1.0
CG A:MET7 3.5 14.4 1.0
ND1 A:HIS102 4.2 15.2 1.0
CB A:MET7 4.2 14.8 1.0
CG A:HIS102 4.3 13.6 1.0
C3D A:HEC201 4.3 17.3 1.0
C2A A:HEC201 4.3 15.0 1.0
C2D A:HEC201 4.3 17.0 1.0
C3A A:HEC201 4.3 15.0 1.0
C2B A:HEC201 4.3 14.9 1.0
C3B A:HEC201 4.3 15.3 1.0
C2C A:HEC201 4.3 13.7 1.0
C3C A:HEC201 4.3 14.1 1.0

Iron binding site 2 out of 2 in 7mk4

Go back to Iron Binding Sites List in 7mk4
Iron binding site 2 out of 2 in the Co-Bound Crystal Structure of the Engineered Cyt CB562 Variant, DICYT2


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Co-Bound Crystal Structure of the Engineered Cyt CB562 Variant, DICYT2 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe201

b:12.1
occ:1.00
FE B:HEC201 0.0 12.1 1.0
ND B:HEC201 2.0 11.3 1.0
NA B:HEC201 2.0 12.6 1.0
NC B:HEC201 2.0 11.6 1.0
NB B:HEC201 2.0 11.8 1.0
NE2 B:HIS102 2.1 12.3 1.0
SD B:MET7 2.3 11.8 1.0
CE1 B:HIS102 3.0 12.1 1.0
C4D B:HEC201 3.0 12.3 1.0
C1D B:HEC201 3.0 11.8 1.0
C4A B:HEC201 3.0 12.0 1.0
C1B B:HEC201 3.0 11.0 1.0
C1A B:HEC201 3.0 12.0 1.0
C1C B:HEC201 3.1 10.9 1.0
C4C B:HEC201 3.1 10.9 1.0
C4B B:HEC201 3.1 11.4 1.0
CD2 B:HIS102 3.1 11.6 1.0
CE B:MET7 3.4 11.7 1.0
CHD B:HEC201 3.4 11.5 1.0
CHB B:HEC201 3.4 11.4 1.0
CG B:MET7 3.4 12.7 1.0
CHA B:HEC201 3.4 12.1 1.0
CHC B:HEC201 3.4 11.6 1.0
ND1 B:HIS102 4.1 12.2 1.0
CG B:HIS102 4.2 13.2 1.0
CB B:MET7 4.2 12.6 1.0
C2D B:HEC201 4.2 13.0 1.0
C2B B:HEC201 4.2 10.7 1.0
C3D B:HEC201 4.3 12.9 1.0
C2A B:HEC201 4.3 13.3 1.0
C3B B:HEC201 4.3 11.0 1.0
C3A B:HEC201 4.3 12.7 1.0
C2C B:HEC201 4.3 10.7 1.0
C3C B:HEC201 4.3 12.0 1.0
CA B:MET7 5.0 12.2 1.0

Reference:

T.S.Choi, F.A.Tezcan. Overcoming Universal Restrictions on Metal Selectivity By Protein Design. Nature V. 603 522 2022.
ISSN: ESSN 1476-4687
PubMed: 35236987
DOI: 10.1038/S41586-022-04469-8
Page generated: Thu Aug 8 09:18:11 2024

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