Iron in PDB 6b8f: Contracted Human Heavy-Chain Ferritin Crystal-Hydrogel Hybrid

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

The structure of Contracted Human Heavy-Chain Ferritin Crystal-Hydrogel Hybrid, PDB code: 6b8f 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)	45.01 / 1.06
Space group	F 4 3 2
Cell size a, b, c (Å), α, β, γ (°)	180.040, 180.040, 180.040, 90.00, 90.00, 90.00
R / Rfree (%)	9.1 / 10.3

The structure of 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 Contracted Human Heavy-Chain Ferritin Crystal-Hydrogel Hybrid (pdb code 6b8f). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Contracted Human Heavy-Chain Ferritin Crystal-Hydrogel Hybrid, PDB code: 6b8f:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the 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 Contracted Human Heavy-Chain Ferritin Crystal-Hydrogel Hybrid within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:8.7 occ:0.34 OE1 A:GLU27 2.1 12.1 1.0 OE2 A:GLU62 2.2 16.8 1.0 O A:HOH341 2.2 26.2 1.0 O A:HOH380 2.3 10.4 0.6 ND1 A:HIS65 2.4 17.1 1.0 CD A:GLU62 2.9 13.4 1.0 OE1 A:GLU62 2.9 20.0 1.0 CD A:GLU27 3.2 9.4 1.0 CE1 A:HIS65 3.2 19.7 1.0 HE1 A:HIS65 3.3 23.6 1.0 CG A:HIS65 3.5 13.6 1.0 HG11 A:VAL110 3.5 13.6 1.0 O A:HOH477 3.6 43.3 1.0 HB2 A:HIS65 3.6 11.7 1.0 OE2 A:GLU27 3.6 12.1 1.0 HB3 A:HIS65 3.7 11.7 1.0 HA A:GLU62 3.7 7.7 1.0 CB A:HIS65 3.8 9.7 1.0 OE1 A:GLN141 3.9 19.3 1.0 O A:HOH471 4.2 23.3 0.9 CG A:GLU62 4.2 9.4 1.0 HB3 A:GLU27 4.3 8.0 1.0 CG1 A:VAL110 4.4 11.3 1.0 HA A:GLU27 4.4 6.3 1.0 NE2 A:HIS65 4.4 18.8 1.0 CG A:GLU27 4.5 8.2 1.0 HB3 A:GLU62 4.5 9.6 1.0 CD2 A:HIS65 4.6 15.0 1.0 CA A:GLU62 4.6 6.4 1.0 CB A:GLU62 4.7 8.0 1.0 HG12 A:VAL110 4.7 13.6 1.0 HG3 A:GLU62 4.7 11.3 1.0 OE2 A:GLU107 4.7 18.0 1.0 HG13 A:VAL110 4.7 13.6 1.0 HB3 A:ALA30 4.7 7.1 1.0 HD2 A:TYR137 4.7 10.0 1.0 HG2 A:GLU62 4.8 11.3 1.0 HG21 A:VAL110 4.8 11.7 1.0 CB A:GLU27 4.8 6.7 1.0 HG3 A:GLU27 4.8 9.9 1.0 CD A:GLN141 4.8 12.5 1.0 HE2 A:TYR137 4.8 9.8 1.0 FE A:FE202 4.9 10.3 0.2 HE22 A:GLN141 5.0 17.6 1.0

Iron binding site 2 out of 2 in the 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 Contracted Human Heavy-Chain Ferritin Crystal-Hydrogel Hybrid within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe202 b:10.3 occ:0.24 O A:HOH307 1.7 15.9 0.8 O A:HOH314 2.2 13.8 0.6 O A:HOH477 2.3 43.3 1.0 OE1 A:GLN58 2.3 13.6 0.2 O A:HOH302 2.5 32.7 0.8 O A:HOH555 2.5 39.8 0.6 OE1 A:GLU62 2.6 20.0 1.0 OE1 A:GLU107 2.7 18.5 1.0 CD A:GLN58 3.5 13.4 0.2 HE2 A:TYR34 3.6 8.6 1.0 HH A:TYR34 3.6 14.7 1.0 CD A:GLU107 3.6 13.9 1.0 OE1 A:GLN58 3.6 14.4 0.8 O A:HOH476 3.6 29.7 1.0 HE1 A:HIS65 3.7 23.6 1.0 HE22 A:GLN58 3.7 18.0 0.2 CD A:GLU62 3.8 13.4 1.0 OE1 A:GLU61 3.8 22.6 0.3 HB1 A:ALA144 3.8 10.1 1.0 OE2 A:GLU107 3.9 18.0 1.0 HB3 A:GLN58 3.9 8.9 0.8 HG2 A:GLU62 4.0 11.3 1.0 HB2 A:ALA144 4.0 10.1 1.0 NE2 A:GLN58 4.0 15.0 0.2 CE2 A:TYR34 4.1 7.2 1.0 OH A:TYR34 4.2 12.2 1.0 O A:HOH341 4.2 26.2 1.0 O A:HOH483 4.2 27.9 0.7 OE2 A:GLU140 4.3 20.1 0.4 CB A:ALA144 4.3 8.4 1.0 CG A:GLU62 4.4 9.4 1.0 HB3 A:GLN58 4.5 10.5 0.2 OE1 A:GLU61 4.5 22.6 0.3 CZ A:TYR34 4.5 8.9 1.0 CE1 A:HIS65 4.5 19.7 1.0 HA A:GLN58 4.6 8.4 0.2 CD A:GLN58 4.6 11.9 0.8 HA A:GLN58 4.6 7.8 0.8 CD A:GLU61 4.7 21.0 0.3 HB3 A:GLU61 4.7 15.1 0.3 HG3 A:GLU107 4.7 10.8 1.0 OE2 A:GLU62 4.7 16.8 1.0 HB3 A:ALA144 4.7 10.1 1.0 CG A:GLN58 4.7 10.9 0.2 CB A:GLN58 4.8 7.4 0.8 HB2 A:GLU61 4.8 15.1 0.3 HG3 A:GLU62 4.8 11.3 1.0 HG3 A:GLN58 4.8 10.1 0.8 CG A:GLU107 4.8 9.0 1.0 HB2 A:GLU61 4.8 6.5 0.4 HB3 A:GLU61 4.9 15.1 0.3 HE21 A:GLN58 4.9 18.0 0.2 FE A:FE201 4.9 8.7 0.3 O A:HOH501 4.9 10.9 0.7 O A:GLN58 4.9 6.8 1.0 HG2 A:GLU61 5.0 19.7 0.3 CG A:GLN58 5.0 8.4 0.8 CB A:GLN58 5.0 8.8 0.2 HG3 A:GLN58 5.0 13.1 0.2

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