Iron in PDB 6b8g: Twice-Contracted Human Heavy-Chain Ferritin Crystal-Hydrogel Hybrid

All present enzymatic activity of Twice-Contracted Human Heavy-Chain Ferritin Crystal-Hydrogel Hybrid:
1.16.3.1;

The structure of Twice-Contracted Human Heavy-Chain Ferritin Crystal-Hydrogel Hybrid, PDB code: 6b8g was solved by L.Zhang, J.B.Bailey, R.Subramanian, F.A.Tezcan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.63 / 1.13
Space group	F 4 3 2
Cell size a, b, c (Å), α, β, γ (°)	179.950, 179.950, 179.950, 90.00, 90.00, 90.00
R / Rfree (%)	10.2 / 12.1

The structure of Twice-Contracted Human Heavy-Chain Ferritin Crystal-Hydrogel Hybrid also contains other interesting chemical elements:

Calcium

(Ca)

11 atoms

The binding sites of Iron atom in the Twice-Contracted Human Heavy-Chain Ferritin Crystal-Hydrogel Hybrid (pdb code 6b8g). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Twice-Contracted Human Heavy-Chain Ferritin Crystal-Hydrogel Hybrid, PDB code: 6b8g:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Twice-Contracted Human Heavy-Chain Ferritin Crystal-Hydrogel Hybrid


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Twice-Contracted Human Heavy-Chain Ferritin Crystal-Hydrogel Hybrid within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:9.8 occ:0.40 OE1 A:GLU27 2.1 14.2 1.0 OE1 A:GLU62 2.2 17.9 1.0 O A:HOH345 2.2 30.9 1.0 O A:HOH385 2.3 12.4 0.6 ND1 A:HIS65 2.4 18.5 1.0 OE2 A:GLU62 2.8 20.9 1.0 CD A:GLU62 2.9 14.2 1.0 O A:HOH347 3.0 38.1 1.0 CE1 A:HIS65 3.2 21.6 1.0 CD A:GLU27 3.2 11.6 1.0 HE1 A:HIS65 3.2 25.9 1.0 HG11 A:VAL110 3.5 14.8 1.0 CG A:HIS65 3.5 15.9 1.0 OE2 A:GLU27 3.6 13.6 1.0 HB2 A:HIS65 3.6 13.2 1.0 HB3 A:HIS65 3.7 13.2 1.0 HA A:GLU62 3.7 9.5 1.0 CB A:HIS65 3.9 11.0 1.0 OE1 A:GLN141 3.9 16.3 0.7 O A:HOH509 4.1 27.9 0.9 CG A:GLU62 4.2 11.0 1.0 HB3 A:GLU27 4.3 9.5 1.0 OE1 A:GLN141 4.3 16.1 0.3 HA A:GLU27 4.4 7.9 1.0 CG1 A:VAL110 4.4 12.3 1.0 NE2 A:HIS65 4.4 21.4 1.0 CG A:GLU27 4.5 9.9 1.0 HB3 A:GLU62 4.5 11.0 1.0 CD2 A:HIS65 4.6 17.6 1.0 CA A:GLU62 4.6 7.9 1.0 HG12 A:VAL110 4.7 14.8 1.0 CB A:GLU62 4.7 9.2 1.0 HG3 A:GLU62 4.7 13.2 1.0 HG13 A:VAL110 4.7 14.8 1.0 HB3 A:ALA30 4.7 8.3 1.0 HG2 A:GLU62 4.7 13.2 1.0 HD2 A:TYR137 4.7 12.0 1.0 OE1 A:GLU107 4.7 18.8 1.0 CB A:GLU27 4.8 7.9 1.0 HG3 A:GLU27 4.8 11.9 1.0 FE A:FE202 4.8 17.8 0.3 HE2 A:TYR137 4.8 11.7 1.0 CD A:GLN141 4.8 12.6 0.7 HG21 A:VAL110 4.8 13.2 1.0

Iron binding site 2 out of 2 in the Twice-Contracted Human Heavy-Chain Ferritin Crystal-Hydrogel Hybrid


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Twice-Contracted Human Heavy-Chain Ferritin Crystal-Hydrogel Hybrid within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe202 b:17.8 occ:0.29 HE21 A:GLN58 1.7 20.2 0.3 O A:HOH316 1.9 9.3 0.7 O A:HOH325 2.2 14.8 0.6 NE2 A:GLN58 2.4 16.8 0.3 O A:HOH601 2.6 25.8 0.5 OE2 A:GLU62 2.6 20.9 1.0 O A:HOH347 2.6 38.1 1.0 HE22 A:GLN58 2.6 20.2 0.3 OE2 A:GLU107 2.7 20.6 1.0 O A:HOH307 2.9 39.2 1.0 HE2 A:TYR34 3.5 9.7 1.0 HH A:TYR34 3.5 16.6 1.0 CD A:GLU107 3.6 15.8 1.0 CD A:GLN58 3.6 16.8 0.3 HE1 A:HIS65 3.7 25.9 1.0 CD A:GLU62 3.8 14.2 1.0 HB1 A:ALA144 3.8 10.7 1.0 OE1 A:GLN58 3.8 17.0 0.7 O A:HOH498 3.8 31.4 1.0 OE1 A:GLU107 3.9 18.8 1.0 HB3 A:GLN58 3.9 11.3 0.7 OE1 A:GLU61 3.9 21.3 0.3 HB2 A:ALA144 4.0 10.7 1.0 HG2 A:GLU62 4.0 13.2 1.0 OE1 A:GLN58 4.0 18.7 0.3 OH A:TYR34 4.1 13.8 1.0 CE2 A:TYR34 4.1 8.1 1.0 O A:HOH345 4.1 30.9 1.0 OE1 A:GLU140 4.3 23.4 0.5 CB A:ALA144 4.3 8.9 1.0 CG A:GLU62 4.4 11.0 1.0 CZ A:TYR34 4.4 10.3 1.0 HB3 A:GLN58 4.5 12.2 0.3 CE1 A:HIS65 4.5 21.6 1.0 HG3 A:GLU107 4.5 11.7 1.0 HG2 A:GLU61 4.6 19.5 0.3 CD A:GLU61 4.6 20.5 0.3 HB3 A:ALA144 4.7 10.7 1.0 OE1 A:GLU62 4.7 17.9 1.0 CG A:GLU107 4.7 9.7 1.0 HA A:GLN58 4.7 9.9 0.3 HG3 A:GLU62 4.7 13.2 1.0 CD A:GLN58 4.7 13.3 0.7 HA A:GLN58 4.8 9.7 0.7 OE1 A:GLU61 4.8 20.9 0.3 CB A:GLN58 4.8 9.4 0.7 FE A:FE201 4.8 9.8 0.4 CG A:GLN58 4.8 13.3 0.3 HB3 A:GLU61 4.9 14.5 0.3 HG3 A:GLN58 4.9 12.2 0.7 HB2 A:GLU61 4.9 11.7 0.4 HB2 A:GLU61 4.9 12.5 0.3 O A:HOH520 5.0 13.5 0.8

L.Zhang, J.B.Bailey, R.H.Subramanian, F.A.Tezcan. Hyperexpandable, Self-Healing Macromolecular Crystals with Integrated Polymer Networks. Nature V. 557 86 2018.
ISSN: ESSN 1476-4687
PubMed: 29720635
DOI: 10.1038/S41586-018-0057-7