Iron in PDB 7d3e: Cryo-Em Structure of Human DUOX1-DUOXA1 in Low-Calcium State

All present enzymatic activity of Cryo-Em Structure of Human DUOX1-DUOXA1 in Low-Calcium State:
1.6.3.1;

The structure of Cryo-Em Structure of Human DUOX1-DUOXA1 in Low-Calcium State also contains other interesting chemical elements:

Sodium

(Na)

4 atoms

The binding sites of Iron atom in the Cryo-Em Structure of Human DUOX1-DUOXA1 in Low-Calcium State (pdb code 7d3e). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Cryo-Em Structure of Human DUOX1-DUOXA1 in Low-Calcium State, PDB code: 7d3e:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Cryo-Em Structure of Human DUOX1-DUOXA1 in Low-Calcium State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Cryo-Em Structure of Human DUOX1-DUOXA1 in Low-Calcium State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1601 b:0.8 occ:1.00 FE A:HEM1601 0.0 0.8 1.0 NE2 A:HIS1130 2.0 0.4 1.0 NE2 A:HIS1225 2.0 0.8 1.0 ND A:HEM1601 2.0 0.9 1.0 NB A:HEM1601 2.0 0.9 1.0 NA A:HEM1601 2.0 0.6 1.0 NC A:HEM1601 2.1 0.0 1.0 CE1 A:HIS1225 2.2 0.4 1.0 CE1 A:HIS1130 2.7 0.9 1.0 C4B A:HEM1601 3.0 97.0 1.0 C4D A:HEM1601 3.1 0.5 1.0 C1A A:HEM1601 3.1 0.6 1.0 C1B A:HEM1601 3.1 0.7 1.0 C1C A:HEM1601 3.1 0.8 1.0 C1D A:HEM1601 3.1 0.7 1.0 C4A A:HEM1601 3.1 0.1 1.0 C4C A:HEM1601 3.1 0.2 1.0 CD2 A:HIS1130 3.1 0.9 1.0 CD2 A:HIS1225 3.4 1.0 1.0 CHC A:HEM1601 3.4 95.8 1.0 CHA A:HEM1601 3.4 0.7 1.0 CHB A:HEM1601 3.4 0.6 1.0 CHD A:HEM1601 3.4 0.4 1.0 ND1 A:HIS1225 3.5 0.9 1.0 ND1 A:HIS1130 3.8 0.4 1.0 CG A:HIS1225 4.1 0.5 1.0 CG A:HIS1130 4.1 0.8 1.0 C3B A:HEM1601 4.3 95.7 1.0 C2B A:HEM1601 4.3 95.3 1.0 C3D A:HEM1601 4.3 0.2 1.0 C2A A:HEM1601 4.3 0.4 1.0 C2D A:HEM1601 4.3 1.0 1.0 C3A A:HEM1601 4.3 1.0 1.0 C2C A:HEM1601 4.3 0.5 1.0 C3C A:HEM1601 4.3 0.2 1.0

Iron binding site 2 out of 4 in the Cryo-Em Structure of Human DUOX1-DUOXA1 in Low-Calcium State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Cryo-Em Structure of Human DUOX1-DUOXA1 in Low-Calcium State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1602 b:0.2 occ:1.00 FE A:HEM1602 0.0 0.2 1.0 NE2 A:HIS1238 2.0 92.8 1.0 NE2 A:HIS1144 2.0 88.4 1.0 NA A:HEM1602 2.0 92.0 1.0 NC A:HEM1602 2.0 90.9 1.0 NB A:HEM1602 2.1 88.8 1.0 ND A:HEM1602 2.1 92.4 1.0 CE1 A:HIS1144 2.9 86.6 1.0 CD2 A:HIS1238 2.9 91.2 1.0 CD2 A:HIS1144 3.0 86.9 1.0 CE1 A:HIS1238 3.0 93.0 1.0 C4C A:HEM1602 3.0 92.0 1.0 C1C A:HEM1602 3.1 89.5 1.0 C4A A:HEM1602 3.1 88.0 1.0 C1A A:HEM1602 3.1 84.5 1.0 C1D A:HEM1602 3.1 89.3 1.0 C1B A:HEM1602 3.1 87.3 1.0 C4B A:HEM1602 3.1 88.9 1.0 C4D A:HEM1602 3.1 88.7 1.0 CHD A:HEM1602 3.4 88.8 1.0 CHB A:HEM1602 3.4 88.0 1.0 CHC A:HEM1602 3.4 91.0 1.0 CHA A:HEM1602 3.4 82.7 1.0 ND1 A:HIS1144 4.0 80.4 1.0 CG A:HIS1238 4.1 89.6 1.0 CG A:HIS1144 4.1 82.4 1.0 ND1 A:HIS1238 4.1 93.1 1.0 C3C A:HEM1602 4.2 93.3 1.0 C2C A:HEM1602 4.3 88.8 1.0 C2A A:HEM1602 4.3 89.6 1.0 C3A A:HEM1602 4.3 88.5 1.0 C2D A:HEM1602 4.3 86.2 1.0 C3D A:HEM1602 4.3 88.2 1.0 C2B A:HEM1602 4.3 89.3 1.0 C3B A:HEM1602 4.3 89.2 1.0 CD2 A:HIS1148 4.4 94.9 1.0 NE2 A:HIS1148 4.4 97.0 1.0

Iron binding site 3 out of 4 in the Cryo-Em Structure of Human DUOX1-DUOXA1 in Low-Calcium State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Cryo-Em Structure of Human DUOX1-DUOXA1 in Low-Calcium State within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe1601 b:0.4 occ:1.00 FE C:HEM1601 0.0 0.4 1.0 ND C:HEM1601 2.0 0.9 1.0 NC C:HEM1601 2.0 0.7 1.0 NA C:HEM1601 2.0 0.6 1.0 NB C:HEM1601 2.1 0.1 1.0 NE2 C:HIS1130 2.5 1.0 1.0 NE2 C:HIS1225 2.5 0.7 1.0 CE1 C:HIS1225 2.7 0.2 1.0 C1D C:HEM1601 3.0 0.5 1.0 C4D C:HEM1601 3.0 0.4 1.0 C1A C:HEM1601 3.1 0.2 1.0 CE1 C:HIS1130 3.1 0.3 1.0 C4C C:HEM1601 3.1 0.9 1.0 C4B C:HEM1601 3.1 97.4 1.0 C1C C:HEM1601 3.1 0.5 1.0 C4A C:HEM1601 3.1 0.6 1.0 C1B C:HEM1601 3.1 0.9 1.0 CD2 C:HIS1130 3.4 0.7 1.0 CHD C:HEM1601 3.4 0.1 1.0 CHA C:HEM1601 3.4 0.5 1.0 CHC C:HEM1601 3.4 95.8 1.0 CHB C:HEM1601 3.4 0.7 1.0 CD2 C:HIS1225 3.9 0.3 1.0 ND1 C:HIS1130 4.1 0.3 1.0 ND1 C:HIS1225 4.1 0.5 1.0 CG C:HIS1130 4.2 0.5 1.0 C2D C:HEM1601 4.3 0.3 1.0 C3D C:HEM1601 4.3 0.4 1.0 C2A C:HEM1601 4.3 0.4 1.0 C3A C:HEM1601 4.3 0.9 1.0 C2C C:HEM1601 4.3 0.3 1.0 C3B C:HEM1601 4.3 95.9 1.0 C3C C:HEM1601 4.3 0.3 1.0 C2B C:HEM1601 4.3 95.8 1.0 CG C:HIS1225 4.6 0.7 1.0

Iron binding site 4 out of 4 in the Cryo-Em Structure of Human DUOX1-DUOXA1 in Low-Calcium State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Cryo-Em Structure of Human DUOX1-DUOXA1 in Low-Calcium State within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe1602 b:0.5 occ:1.00 FE C:HEM1602 0.0 0.5 1.0 NC C:HEM1602 2.0 92.9 1.0 ND C:HEM1602 2.0 93.9 1.0 NB C:HEM1602 2.1 90.0 1.0 NA C:HEM1602 2.1 94.1 1.0 NE2 C:HIS1144 2.5 86.9 1.0 NE2 C:HIS1238 2.5 98.3 1.0 C4C C:HEM1602 3.0 94.4 1.0 C1C C:HEM1602 3.0 91.0 1.0 C1D C:HEM1602 3.1 91.1 1.0 C4B C:HEM1602 3.1 90.5 1.0 C4D C:HEM1602 3.1 90.0 1.0 C1B C:HEM1602 3.1 88.7 1.0 C1A C:HEM1602 3.1 85.0 1.0 C4A C:HEM1602 3.1 88.6 1.0 CE1 C:HIS1238 3.2 95.5 1.0 CD2 C:HIS1144 3.2 82.1 1.0 CD2 C:HIS1238 3.3 98.5 1.0 CHD C:HEM1602 3.4 91.1 1.0 CHC C:HEM1602 3.4 92.0 1.0 CE1 C:HIS1144 3.4 90.1 1.0 CHB C:HEM1602 3.5 88.1 1.0 CHA C:HEM1602 3.5 83.3 1.0 ND1 C:HIS1238 4.2 97.9 1.0 C3C C:HEM1602 4.2 94.6 1.0 C2C C:HEM1602 4.2 89.8 1.0 CG C:HIS1238 4.2 92.3 1.0 C2D C:HEM1602 4.3 87.7 1.0 C3D C:HEM1602 4.3 89.5 1.0 C3B C:HEM1602 4.3 90.2 1.0 C2B C:HEM1602 4.3 90.3 1.0 C2A C:HEM1602 4.3 89.7 1.0 C3A C:HEM1602 4.3 89.0 1.0 CG C:HIS1144 4.4 82.8 1.0 ND1 C:HIS1144 4.4 90.5 1.0 CD2 C:HIS1148 4.6 94.5 1.0 NE2 C:HIS1148 4.6 95.7 1.0

L.Chen, J.X.Wu. Cryo-Em Structure of Human DUOX1-DUOXA1 Complex in Low-Calcium State To Be Published.