Iron in PDB 8drj: Apo B2 Dimer (H60/H100/H104) Formed in the Presence of Cu(II)

The structure of Apo B2 Dimer (H60/H100/H104) Formed in the Presence of Cu(II), PDB code: 8drj 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)	44.86 / 2.40
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	89.32, 48.02, 45.12, 90, 96.18, 90
R / Rfree (%)	19.1 / 28.3

The binding sites of Iron atom in the Apo B2 Dimer (H60/H100/H104) Formed in the Presence of Cu(II) (pdb code 8drj). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Apo B2 Dimer (H60/H100/H104) Formed in the Presence of Cu(II), PDB code: 8drj:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Apo B2 Dimer (H60/H100/H104) Formed in the Presence of Cu(II)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Apo B2 Dimer (H60/H100/H104) Formed in the Presence of Cu(II) within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe201 b:16.0 occ:1.00 FE C:HEC201 0.0 16.0 1.0 ND C:HEC201 2.0 22.8 1.0 NC C:HEC201 2.1 18.8 1.0 NB C:HEC201 2.1 24.5 1.0 NA C:HEC201 2.1 25.2 1.0 NE2 C:HIS102 2.2 20.0 1.0 SD C:MET7 2.5 18.1 1.0 C4D C:HEC201 3.0 24.4 1.0 C4B C:HEC201 3.0 20.8 1.0 C1C C:HEC201 3.1 15.4 1.0 C1D C:HEC201 3.1 21.6 1.0 C1A C:HEC201 3.1 22.8 1.0 C4C C:HEC201 3.1 17.2 1.0 C1B C:HEC201 3.1 25.3 1.0 CD2 C:HIS102 3.1 20.0 1.0 C4A C:HEC201 3.2 26.5 1.0 CE1 C:HIS102 3.2 24.3 1.0 CHA C:HEC201 3.4 26.2 1.0 CHC C:HEC201 3.4 17.9 1.0 CE C:MET7 3.4 22.5 1.0 CHD C:HEC201 3.5 16.2 1.0 CG C:MET7 3.5 22.1 1.0 CHB C:HEC201 3.5 24.3 1.0 C3D C:HEC201 4.2 25.2 1.0 C2D C:HEC201 4.3 23.7 1.0 CB C:MET7 4.3 20.3 1.0 C3B C:HEC201 4.3 18.4 1.0 C2C C:HEC201 4.3 15.9 1.0 CG C:HIS102 4.3 18.1 1.0 ND1 C:HIS102 4.3 19.1 1.0 C3C C:HEC201 4.3 16.5 1.0 C2B C:HEC201 4.3 22.1 1.0 C2A C:HEC201 4.3 32.0 1.0 C3A C:HEC201 4.4 26.4 1.0

Iron binding site 2 out of 2 in the Apo B2 Dimer (H60/H100/H104) Formed in the Presence of Cu(II)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Apo B2 Dimer (H60/H100/H104) Formed in the Presence of Cu(II) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:18.4 occ:1.00 FE A:HEC201 0.0 18.4 1.0 ND A:HEC201 2.0 24.4 1.0 NA A:HEC201 2.0 28.0 1.0 NB A:HEC201 2.1 22.4 1.0 NC A:HEC201 2.2 22.6 1.0 NE2 A:HIS102 2.4 22.1 1.0 SD A:MET7 2.6 20.8 1.0 C4D A:HEC201 3.0 28.8 1.0 C1D A:HEC201 3.0 24.5 1.0 C1A A:HEC201 3.0 25.0 1.0 C4A A:HEC201 3.1 26.3 1.0 C1B A:HEC201 3.1 22.7 1.0 CD2 A:HIS102 3.1 22.3 1.0 C4B A:HEC201 3.2 17.6 1.0 C4C A:HEC201 3.2 20.1 1.0 C1C A:HEC201 3.2 22.3 1.0 CHA A:HEC201 3.3 26.7 1.0 CHD A:HEC201 3.4 22.1 1.0 CHB A:HEC201 3.4 20.8 1.0 CG A:MET7 3.5 26.3 1.0 CE1 A:HIS102 3.5 24.1 1.0 CHC A:HEC201 3.5 22.0 1.0 CE A:MET7 3.6 18.4 1.0 CB A:MET7 4.1 21.7 1.0 C3D A:HEC201 4.2 34.0 1.0 C2D A:HEC201 4.2 31.4 1.0 C2A A:HEC201 4.3 28.0 1.0 C3A A:HEC201 4.3 25.8 1.0 C2B A:HEC201 4.3 19.6 1.0 CG A:HIS102 4.4 21.0 1.0 C3B A:HEC201 4.4 20.6 1.0 C3C A:HEC201 4.4 21.5 1.0 C2C A:HEC201 4.4 20.8 1.0 ND1 A:HIS102 4.5 24.6 1.0 NH1 A:ARG106 4.6 29.0 1.0 CA A:MET7 5.0 19.4 1.0

T.S.Choi, F.A.Tezcan. Design of A Flexible, Zn-Selective Protein Scaffold That Displays Anti-Irving-Williams Behavior. J.Am.Chem.Soc. V. 144 18090 2022.
ISSN: ESSN 1520-5126
PubMed: 36154053
DOI: 10.1021/JACS.2C08050