Iron in PDB 8gk3: Cytochrome P450 3A7 in Complex with Dehydroepiandrosterone Sulfate

All present enzymatic activity of Cytochrome P450 3A7 in Complex with Dehydroepiandrosterone Sulfate:
1.14.14.1;

The structure of Cytochrome P450 3A7 in Complex with Dehydroepiandrosterone Sulfate, PDB code: 8gk3 was solved by J.Liu, E.E.Scott, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.94 / 2.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	114.516, 219.381, 130.447, 90, 102.17, 90
R / Rfree (%)	20.9 / 27.3

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Iron atom in the Cytochrome P450 3A7 in Complex with Dehydroepiandrosterone Sulfate (pdb code 8gk3). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 12 binding sites of Iron where determined in the Cytochrome P450 3A7 in Complex with Dehydroepiandrosterone Sulfate, PDB code: 8gk3:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 12 in the Cytochrome P450 3A7 in Complex with Dehydroepiandrosterone Sulfate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Cytochrome P450 3A7 in Complex with Dehydroepiandrosterone Sulfate within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:139.8 occ:1.00 FE A:HEM601 0.0 139.8 1.0 ND A:HEM601 2.0 96.0 1.0 NA A:HEM601 2.0 93.8 1.0 NB A:HEM601 2.1 99.1 1.0 NC A:HEM601 2.1 92.5 1.0 SG A:CYS442 2.6 54.5 1.0 C1D A:HEM601 3.0 70.2 1.0 C4A A:HEM601 3.1 64.9 1.0 C4D A:HEM601 3.1 60.2 1.0 C1A A:HEM601 3.1 62.8 1.0 C1B A:HEM601 3.1 63.5 1.0 C4C A:HEM601 3.1 67.5 1.0 C4B A:HEM601 3.1 53.0 1.0 C1C A:HEM601 3.1 55.2 1.0 CHB A:HEM601 3.4 58.8 1.0 CHA A:HEM601 3.4 55.9 1.0 CHD A:HEM601 3.4 49.9 1.0 CHC A:HEM601 3.5 49.2 1.0 HB2 A:CYS442 3.5 60.1 1.0 HB1 A:ALA305 3.5 53.7 1.0 CB A:CYS442 3.7 50.1 1.0 HA A:CYS442 3.9 67.0 1.0 C2D A:HEM601 4.3 45.6 1.0 C3D A:HEM601 4.3 60.4 1.0 C3A A:HEM601 4.3 49.8 1.0 C2A A:HEM601 4.3 63.4 1.0 C2B A:HEM601 4.3 65.4 1.0 O A:ALA305 4.3 53.5 1.0 C3B A:HEM601 4.3 50.7 1.0 C3C A:HEM601 4.3 53.3 1.0 C2C A:HEM601 4.3 58.9 1.0 CA A:CYS442 4.3 55.9 1.0 H A:GLY444 4.4 56.1 1.0 HD1 A:PHE435 4.4 74.5 1.0 HHB A:HEM601 4.4 70.5 1.0 HHA A:HEM601 4.4 67.0 1.0 HHD A:HEM601 4.4 59.8 1.0 HHC A:HEM601 4.4 59.0 1.0 HB3 A:CYS442 4.5 60.1 1.0 CB A:ALA305 4.5 44.8 1.0 HG21 A:THR309 4.6 58.2 1.0 HG1 A:THR309 4.7 65.3 1.0 HB3 A:ALA305 4.8 53.7 1.0 HB2 A:ALA305 4.9 53.7 1.0 C A:ALA305 4.9 49.1 1.0 HE1 A:PHE435 5.0 72.2 1.0

Iron binding site 2 out of 12 in the Cytochrome P450 3A7 in Complex with Dehydroepiandrosterone Sulfate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Cytochrome P450 3A7 in Complex with Dehydroepiandrosterone Sulfate within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe601 b:60.1 occ:1.00 FE B:HEM601 0.0 60.1 1.0 NB B:HEM601 2.0 54.4 1.0 ND B:HEM601 2.0 72.6 1.0 NC B:HEM601 2.0 73.2 1.0 NA B:HEM601 2.1 74.1 1.0 SG B:CYS442 2.6 53.1 1.0 C1B B:HEM601 3.0 50.3 1.0 C4B B:HEM601 3.0 67.3 1.0 C1D B:HEM601 3.0 60.8 1.0 C4C B:HEM601 3.0 66.7 1.0 C1C B:HEM601 3.1 59.5 1.0 C4A B:HEM601 3.1 62.7 1.0 C4D B:HEM601 3.1 65.5 1.0 C1A B:HEM601 3.1 52.6 1.0 HB2 B:CYS442 3.2 69.4 1.0 CHD B:HEM601 3.4 66.7 1.0 CHB B:HEM601 3.4 75.9 1.0 CHC B:HEM601 3.4 57.8 1.0 CB B:CYS442 3.5 57.9 1.0 CHA B:HEM601 3.5 51.2 1.0 HB1 B:ALA305 3.6 69.1 1.0 HA B:CYS442 3.6 79.7 1.0 CA B:CYS442 4.1 66.5 1.0 O B:ALA305 4.1 58.6 1.0 C2B B:HEM601 4.2 57.3 1.0 C3B B:HEM601 4.3 58.1 1.0 C2D B:HEM601 4.3 60.9 1.0 C3C B:HEM601 4.3 66.1 1.0 C2C B:HEM601 4.3 69.4 1.0 H B:GLY444 4.3 65.8 1.0 C3D B:HEM601 4.3 75.4 1.0 HB3 B:CYS442 4.3 69.4 1.0 C3A B:HEM601 4.3 50.4 1.0 C2A B:HEM601 4.3 62.9 1.0 HHD B:HEM601 4.4 80.0 1.0 HHB B:HEM601 4.4 91.0 1.0 HHC B:HEM601 4.4 69.3 1.0 HD1 B:PHE435 4.5 74.0 1.0 HHA B:HEM601 4.5 61.4 1.0 CB B:ALA305 4.5 57.7 1.0 HG21 B:THR309 4.7 56.9 1.0 C B:ALA305 4.8 63.5 1.0 HB3 B:ALA305 4.8 69.1 1.0 H B:ILE443 4.8 76.3 1.0 C B:CYS442 4.9 61.8 1.0

Iron binding site 3 out of 12 in the Cytochrome P450 3A7 in Complex with Dehydroepiandrosterone Sulfate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Cytochrome P450 3A7 in Complex with Dehydroepiandrosterone Sulfate within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe601 b:157.3 occ:1.00 FE C:HEM601 0.0 157.3 1.0 NA C:HEM601 2.0 82.3 1.0 ND C:HEM601 2.0 81.0 1.0 NB C:HEM601 2.0 71.3 1.0 NC C:HEM601 2.1 96.0 1.0 SG C:CYS442 2.6 69.8 1.0 C1A C:HEM601 3.0 57.0 1.0 C4D C:HEM601 3.0 70.4 1.0 C4B C:HEM601 3.0 54.6 1.0 C1C C:HEM601 3.0 48.6 1.0 C1D C:HEM601 3.1 66.8 1.0 C4A C:HEM601 3.1 61.5 1.0 C1B C:HEM601 3.1 56.9 1.0 C4C C:HEM601 3.1 60.8 1.0 HB2 C:CYS442 3.3 82.1 1.0 CHA C:HEM601 3.4 45.9 1.0 CHC C:HEM601 3.4 45.2 1.0 CHB C:HEM601 3.5 61.4 1.0 CHD C:HEM601 3.5 66.3 1.0 CB C:CYS442 3.5 68.5 1.0 HB1 C:ALA305 3.6 63.5 1.0 HA C:CYS442 3.9 71.9 1.0 H013 C:ZQK602 3.9 79.2 1.0 O25 C:ZQK602 4.1 66.0 1.0 H C:GLY444 4.3 67.8 1.0 C3D C:HEM601 4.3 60.4 1.0 C2A C:HEM601 4.3 69.5 1.0 CA C:CYS442 4.3 59.9 1.0 C3B C:HEM601 4.3 51.5 1.0 C2C C:HEM601 4.3 63.1 1.0 C2D C:HEM601 4.3 56.5 1.0 C3A C:HEM601 4.3 49.8 1.0 C2B C:HEM601 4.3 55.6 1.0 C3C C:HEM601 4.3 50.9 1.0 HB3 C:CYS442 4.3 82.1 1.0 HHA C:HEM601 4.4 55.0 1.0 HHC C:HEM601 4.4 54.2 1.0 HHB C:HEM601 4.5 73.7 1.0 HD1 C:PHE435 4.5 78.1 1.0 HHD C:HEM601 4.5 79.5 1.0 CB C:ALA305 4.5 53.0 1.0 O C:ALA305 4.6 57.4 1.0 H C:ILE443 4.7 57.5 1.0 HG21 C:THR309 4.7 77.0 1.0 C01 C:ZQK602 4.7 66.1 1.0 C24 C:ZQK602 4.8 63.0 1.0 HG1 C:THR309 4.8 70.9 1.0 H012 C:ZQK602 4.9 79.2 1.0 HB3 C:ALA305 4.9 63.5 1.0 HB2 C:ALA305 5.0 63.5 1.0 C C:CYS442 5.0 58.5 1.0

Iron binding site 4 out of 12 in the Cytochrome P450 3A7 in Complex with Dehydroepiandrosterone Sulfate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Cytochrome P450 3A7 in Complex with Dehydroepiandrosterone Sulfate within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe601 b:80.8 occ:1.00 FE D:HEM601 0.0 80.8 1.0 NB D:HEM601 2.0 59.2 1.0 ND D:HEM601 2.0 72.6 1.0 NC D:HEM601 2.0 84.3 1.0 NA D:HEM601 2.1 82.5 1.0 SG D:CYS442 2.6 69.6 1.0 C1B D:HEM601 3.0 59.2 1.0 C1D D:HEM601 3.0 65.5 1.0 C4C D:HEM601 3.0 67.1 1.0 C4B D:HEM601 3.0 56.2 1.0 C1C D:HEM601 3.1 46.9 1.0 C4A D:HEM601 3.1 64.7 1.0 C4D D:HEM601 3.1 58.1 1.0 C1A D:HEM601 3.1 47.8 1.0 HB2 D:CYS442 3.3 74.5 1.0 CHD D:HEM601 3.4 64.3 1.0 CHB D:HEM601 3.4 55.4 1.0 CHC D:HEM601 3.4 44.6 1.0 CHA D:HEM601 3.5 52.0 1.0 CB D:CYS442 3.6 62.1 1.0 HB1 D:ALA305 3.6 59.8 1.0 O25 D:ZQK605 3.9 89.3 1.0 HA D:CYS442 4.0 76.3 1.0 H013 D:ZQK605 4.1 119.1 1.0 HD1 D:PHE435 4.2 77.1 1.0 C2B D:HEM601 4.2 55.9 1.0 C3B D:HEM601 4.3 53.8 1.0 C2D D:HEM601 4.3 52.0 1.0 C3C D:HEM601 4.3 57.7 1.0 C3D D:HEM601 4.3 50.7 1.0 C2C D:HEM601 4.3 62.2 1.0 C3A D:HEM601 4.3 54.1 1.0 C2A D:HEM601 4.3 70.8 1.0 HB3 D:CYS442 4.3 74.5 1.0 CA D:CYS442 4.3 63.6 1.0 HHD D:HEM601 4.4 77.1 1.0 H D:GLY444 4.4 68.9 1.0 HHB D:HEM601 4.4 66.4 1.0 HHC D:HEM601 4.4 53.5 1.0 HHA D:HEM601 4.5 62.3 1.0 CB D:ALA305 4.5 49.9 1.0 O D:ALA305 4.6 56.9 1.0 HG1 D:THR309 4.7 74.7 1.0 C24 D:ZQK605 4.7 83.3 1.0 H D:ILE443 4.8 57.9 1.0 HG21 D:THR309 4.8 87.8 1.0 HB3 D:ALA305 4.9 59.8 1.0 HB2 D:ALA305 5.0 59.8 1.0 C01 D:ZQK605 5.0 99.3 1.0

Iron binding site 5 out of 12 in the Cytochrome P450 3A7 in Complex with Dehydroepiandrosterone Sulfate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Cytochrome P450 3A7 in Complex with Dehydroepiandrosterone Sulfate within 5.0Å range: probe atom residue distance (Å) B Occ E:Fe601 b:241.6 occ:1.00 FE E:HEM601 0.0 241.6 1.0 NC E:HEM601 2.0 57.5 1.0 NB E:HEM601 2.0 60.6 1.0 NA E:HEM601 2.1 64.0 1.0 ND E:HEM601 2.1 64.8 1.0 SG E:CYS442 2.6 64.9 1.0 C1C E:HEM601 3.0 65.8 1.0 C4B E:HEM601 3.0 65.0 1.0 C4C E:HEM601 3.0 64.2 1.0 C1B E:HEM601 3.1 56.0 1.0 C1A E:HEM601 3.1 48.2 1.0 C4A E:HEM601 3.1 65.5 1.0 C1D E:HEM601 3.1 55.6 1.0 C4D E:HEM601 3.1 49.3 1.0 CHC E:HEM601 3.4 52.3 1.0 CHD E:HEM601 3.4 64.0 1.0 CHB E:HEM601 3.4 59.8 1.0 CHA E:HEM601 3.5 51.0 1.0 HB2 E:CYS442 3.5 70.2 1.0 CB E:CYS442 3.7 58.6 1.0 HB1 E:ALA305 3.7 60.1 1.0 HA E:CYS442 3.8 70.5 1.0 H011 E:ZQK602 4.2 83.0 1.0 C2C E:HEM601 4.2 66.6 1.0 C3C E:HEM601 4.2 66.5 1.0 C3B E:HEM601 4.2 49.4 1.0 C2B E:HEM601 4.3 60.5 1.0 C2A E:HEM601 4.3 61.2 1.0 CA E:CYS442 4.3 58.8 1.0 C3A E:HEM601 4.3 47.8 1.0 C2D E:HEM601 4.3 47.4 1.0 C3D E:HEM601 4.3 49.4 1.0 H E:GLY444 4.3 67.1 1.0 HHC E:HEM601 4.3 62.7 1.0 HD1 E:PHE435 4.4 70.8 1.0 HHD E:HEM601 4.4 76.7 1.0 HHB E:HEM601 4.4 71.7 1.0 HHA E:HEM601 4.4 61.1 1.0 HB3 E:CYS442 4.5 70.2 1.0 O E:ALA305 4.5 67.2 1.0 HG21 E:THR309 4.6 81.3 1.0 O25 E:ZQK602 4.6 83.1 1.0 CB E:ALA305 4.7 50.1 1.0 H013 E:ZQK602 4.8 83.0 1.0 HB3 E:ALA305 4.9 60.1 1.0 C01 E:ZQK602 4.9 69.2 1.0 H E:ILE443 4.9 69.5 1.0 C24 E:ZQK602 5.0 59.1 1.0

Iron binding site 6 out of 12 in the Cytochrome P450 3A7 in Complex with Dehydroepiandrosterone Sulfate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Cytochrome P450 3A7 in Complex with Dehydroepiandrosterone Sulfate within 5.0Å range: probe atom residue distance (Å) B Occ F:Fe601 b:143.7 occ:1.00 FE F:HEM601 0.0 143.7 1.0 NC F:HEM601 2.0 69.7 1.0 NA F:HEM601 2.0 72.2 1.0 ND F:HEM601 2.0 82.4 1.0 NB F:HEM601 2.1 85.6 1.0 SG F:CYS442 2.8 78.9 1.0 C1C F:HEM601 3.0 73.9 1.0 C4C F:HEM601 3.0 68.1 1.0 C1A F:HEM601 3.0 73.6 1.0 C4D F:HEM601 3.1 67.4 1.0 C4A F:HEM601 3.1 77.6 1.0 C1D F:HEM601 3.1 71.4 1.0 C4B F:HEM601 3.1 64.3 1.0 C1B F:HEM601 3.1 77.7 1.0 HB1 F:ALA305 3.2 76.1 1.0 CHC F:HEM601 3.4 65.6 1.0 CHA F:HEM601 3.4 65.7 1.0 CHD F:HEM601 3.4 67.6 1.0 CHB F:HEM601 3.4 75.1 1.0 HB2 F:CYS442 3.5 96.8 1.0 CB F:CYS442 3.7 80.7 1.0 HA F:CYS442 3.9 87.9 1.0 CB F:ALA305 4.2 63.4 1.0 C2C F:HEM601 4.2 66.4 1.0 C3C F:HEM601 4.3 63.6 1.0 C2A F:HEM601 4.3 69.4 1.0 C3D F:HEM601 4.3 65.3 1.0 C2D F:HEM601 4.3 64.2 1.0 C3A F:HEM601 4.3 64.8 1.0 C2B F:HEM601 4.3 66.4 1.0 C3B F:HEM601 4.3 63.0 1.0 H F:GLY444 4.3 77.3 1.0 O F:ALA305 4.4 74.6 1.0 CA F:CYS442 4.4 73.3 1.0 HHC F:HEM601 4.4 78.6 1.0 HHA F:HEM601 4.4 78.8 1.0 HHD F:HEM601 4.4 81.0 1.0 HHB F:HEM601 4.4 90.1 1.0 HB3 F:ALA305 4.5 76.1 1.0 HB3 F:CYS442 4.5 96.8 1.0 HD1 F:PHE435 4.6 97.7 1.0 HG1 F:THR309 4.6 76.5 1.0 HB2 F:ALA305 4.7 76.1 1.0 C F:ALA305 4.8 68.1 1.0 H F:ILE443 4.8 79.6 1.0 HA F:ALA305 5.0 87.7 1.0 CA F:ALA305 5.0 73.1 1.0

Iron binding site 7 out of 12 in the Cytochrome P450 3A7 in Complex with Dehydroepiandrosterone Sulfate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Cytochrome P450 3A7 in Complex with Dehydroepiandrosterone Sulfate within 5.0Å range: probe atom residue distance (Å) B Occ G:Fe601 b:161.2 occ:1.00 FE G:HEM601 0.0 161.2 1.0 NA G:HEM601 2.0 74.6 1.0 NC G:HEM601 2.0 78.8 1.0 NB G:HEM601 2.0 87.3 1.0 ND G:HEM601 2.1 91.6 1.0 SG G:CYS442 2.8 69.2 1.0 C1D G:HEM601 3.1 72.9 1.0 C1A G:HEM601 3.1 70.6 1.0 C4C G:HEM601 3.1 74.7 1.0 C4D G:HEM601 3.1 69.9 1.0 C4A G:HEM601 3.1 73.5 1.0 C1C G:HEM601 3.1 73.8 1.0 C1B G:HEM601 3.1 80.5 1.0 C4B G:HEM601 3.1 67.7 1.0 HB1 G:ALA305 3.2 82.0 1.0 CHD G:HEM601 3.4 80.6 1.0 CHA G:HEM601 3.4 69.2 1.0 CHB G:HEM601 3.4 79.6 1.0 CHC G:HEM601 3.4 67.7 1.0 HB2 G:CYS442 3.8 86.6 1.0 CB G:CYS442 3.9 72.2 1.0 HA G:CYS442 4.1 75.9 1.0 CB G:ALA305 4.2 68.3 1.0 C2D G:HEM601 4.3 67.4 1.0 C3D G:HEM601 4.3 68.5 1.0 C2A G:HEM601 4.3 66.7 1.0 C3A G:HEM601 4.3 65.9 1.0 C3C G:HEM601 4.3 67.9 1.0 C2C G:HEM601 4.3 68.1 1.0 C2B G:HEM601 4.3 68.1 1.0 C3B G:HEM601 4.3 66.1 1.0 HHD G:HEM601 4.4 96.7 1.0 HHB G:HEM601 4.4 95.5 1.0 HHA G:HEM601 4.4 83.0 1.0 HHC G:HEM601 4.4 81.2 1.0 H G:GLY444 4.4 76.2 1.0 O G:ALA305 4.4 71.0 1.0 HB3 G:ALA305 4.5 82.0 1.0 HG21 G:THR309 4.6 87.7 1.0 CA G:CYS442 4.6 63.3 1.0 HG1 G:THR309 4.6 75.3 1.0 HD1 G:PHE435 4.6 91.6 1.0 HB2 G:ALA305 4.6 82.0 1.0 HB3 G:CYS442 4.7 86.6 1.0 C G:ALA305 4.8 77.7 1.0 HA G:ALA305 4.9 86.5 1.0 CA G:ALA305 4.9 72.1 1.0 H G:ILE443 5.0 75.5 1.0

Iron binding site 8 out of 12 in the Cytochrome P450 3A7 in Complex with Dehydroepiandrosterone Sulfate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Cytochrome P450 3A7 in Complex with Dehydroepiandrosterone Sulfate within 5.0Å range: probe atom residue distance (Å) B Occ H:Fe601 b:66.2 occ:1.00 FE H:HEM601 0.0 66.2 1.0 ND H:HEM601 2.0 51.2 1.0 NA H:HEM601 2.0 57.6 1.0 NB H:HEM601 2.0 61.1 1.0 NC H:HEM601 2.1 60.9 1.0 SG H:CYS442 2.7 65.2 1.0 C1A H:HEM601 3.0 52.4 1.0 C4D H:HEM601 3.0 58.8 1.0 C4B H:HEM601 3.0 58.1 1.0 C1D H:HEM601 3.1 52.0 1.0 C4A H:HEM601 3.1 59.6 1.0 C1C H:HEM601 3.1 56.6 1.0 C1B H:HEM601 3.1 52.8 1.0 C4C H:HEM601 3.1 57.1 1.0 HB2 H:CYS442 3.4 72.1 1.0 CHA H:HEM601 3.4 52.3 1.0 CHC H:HEM601 3.4 56.8 1.0 CHB H:HEM601 3.4 69.0 1.0 CHD H:HEM601 3.5 74.6 1.0 HB1 H:ALA305 3.5 69.1 1.0 CB H:CYS442 3.6 60.1 1.0 H011 H:ZQK602 3.9 76.1 1.0 HA H:CYS442 4.0 73.4 1.0 C2A H:HEM601 4.2 57.5 1.0 C3D H:HEM601 4.3 68.2 1.0 C2D H:HEM601 4.3 57.4 1.0 C3A H:HEM601 4.3 55.0 1.0 C3B H:HEM601 4.3 57.6 1.0 C2B H:HEM601 4.3 52.9 1.0 C2C H:HEM601 4.3 68.3 1.0 C3C H:HEM601 4.3 55.7 1.0 CA H:CYS442 4.4 61.2 1.0 H H:GLY444 4.4 69.5 1.0 HHA H:HEM601 4.4 62.7 1.0 HHC H:HEM601 4.4 68.1 1.0 HB3 H:CYS442 4.4 72.1 1.0 HHB H:HEM601 4.4 82.8 1.0 HD1 H:PHE435 4.4 85.3 1.0 HG21 H:THR309 4.4 67.3 1.0 HHD H:HEM601 4.4 89.5 1.0 CB H:ALA305 4.5 57.6 1.0 O H:ALA305 4.5 59.1 1.0 O25 H:ZQK602 4.5 63.2 1.0 H012 H:ZQK602 4.6 76.1 1.0 C01 H:ZQK602 4.7 63.4 1.0 HG1 H:THR309 4.8 76.8 1.0 HB3 H:ALA305 4.8 69.1 1.0 H H:ILE443 4.9 67.8 1.0 HB2 H:ALA305 5.0 69.1 1.0 C24 H:ZQK602 5.0 62.6 1.0

Iron binding site 9 out of 12 in the Cytochrome P450 3A7 in Complex with Dehydroepiandrosterone Sulfate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Cytochrome P450 3A7 in Complex with Dehydroepiandrosterone Sulfate within 5.0Å range: probe atom residue distance (Å) B Occ I:Fe601 b:66.2 occ:1.00 FE I:HEM601 0.0 66.2 1.0 NB I:HEM601 2.0 60.1 1.0 NC I:HEM601 2.0 69.2 1.0 NA I:HEM601 2.1 62.5 1.0 ND I:HEM601 2.1 76.1 1.0 SG I:CYS442 2.7 66.1 1.0 C1B I:HEM601 3.0 61.5 1.0 C4C I:HEM601 3.0 74.0 1.0 C4A I:HEM601 3.1 73.1 1.0 C1D I:HEM601 3.1 74.8 1.0 C4B I:HEM601 3.1 70.1 1.0 C1C I:HEM601 3.1 69.4 1.0 C4D I:HEM601 3.1 70.5 1.0 C1A I:HEM601 3.1 72.0 1.0 HB2 I:CYS442 3.4 85.0 1.0 CHB I:HEM601 3.4 75.4 1.0 CHD I:HEM601 3.4 77.0 1.0 CHC I:HEM601 3.4 59.7 1.0 CHA I:HEM601 3.5 69.6 1.0 HB1 I:ALA305 3.5 69.5 1.0 CB I:CYS442 3.6 70.9 1.0 HA I:CYS442 3.9 88.2 1.0 H013 I:ZQK602 4.1 93.8 1.0 C2B I:HEM601 4.3 70.1 1.0 C3C I:HEM601 4.3 64.9 1.0 C2D I:HEM601 4.3 66.7 1.0 C3B I:HEM601 4.3 63.4 1.0 H I:GLY444 4.3 71.2 1.0 C3D I:HEM601 4.3 72.5 1.0 C2C I:HEM601 4.3 71.0 1.0 C3A I:HEM601 4.3 77.5 1.0 C2A I:HEM601 4.3 77.6 1.0 O25 I:ZQK602 4.3 72.0 1.0 CA I:CYS442 4.3 73.6 1.0 HHB I:HEM601 4.4 90.4 1.0 HHD I:HEM601 4.4 92.3 1.0 HHC I:HEM601 4.4 71.5 1.0 HB3 I:CYS442 4.4 85.0 1.0 HHA I:HEM601 4.4 83.4 1.0 CB I:ALA305 4.5 58.0 1.0 O I:ALA305 4.5 61.5 1.0 HG21 I:THR309 4.5 73.3 1.0 HD1 I:PHE435 4.6 88.0 1.0 H011 I:ZQK602 4.7 93.8 1.0 HG1 I:THR309 4.8 81.3 1.0 C01 I:ZQK602 4.8 78.2 1.0 HB3 I:ALA305 4.8 69.5 1.0 C24 I:ZQK602 4.9 61.0 1.0 HA3 I:GLY444 4.9 93.8 1.0 HB2 I:ALA305 4.9 69.5 1.0 H I:ILE443 5.0 74.3 1.0 C I:ALA305 5.0 73.6 1.0

Iron binding site 10 out of 12 in the Cytochrome P450 3A7 in Complex with Dehydroepiandrosterone Sulfate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Cytochrome P450 3A7 in Complex with Dehydroepiandrosterone Sulfate within 5.0Å range: probe atom residue distance (Å) B Occ J:Fe601 b:81.1 occ:1.00 FE J:HEM601 0.0 81.1 1.0 NA J:HEM601 2.0 77.3 1.0 ND J:HEM601 2.0 70.7 1.0 NB J:HEM601 2.0 75.5 1.0 NC J:HEM601 2.1 77.7 1.0 SG J:CYS442 2.7 69.9 1.0 C4D J:HEM601 3.0 58.3 1.0 C1A J:HEM601 3.0 57.3 1.0 C4A J:HEM601 3.1 77.2 1.0 C1B J:HEM601 3.1 73.4 1.0 C1D J:HEM601 3.1 63.1 1.0 C4B J:HEM601 3.1 59.5 1.0 C4C J:HEM601 3.1 66.1 1.0 C1C J:HEM601 3.1 65.0 1.0 HB2 J:CYS442 3.4 81.3 1.0 CHA J:HEM601 3.4 58.4 1.0 CHB J:HEM601 3.4 74.0 1.0 CHC J:HEM601 3.4 65.3 1.0 CHD J:HEM601 3.4 64.7 1.0 CB J:CYS442 3.6 67.8 1.0 HB1 J:ALA305 3.7 74.4 1.0 HA J:CYS442 3.9 78.1 1.0 H012 J:ZQK602 4.0 85.3 1.0 O25 J:ZQK602 4.1 66.7 1.0 O J:ALA305 4.2 78.0 1.0 H J:GLY444 4.2 78.2 1.0 C3D J:HEM601 4.3 68.7 1.0 C2A J:HEM601 4.3 63.8 1.0 C3A J:HEM601 4.3 58.7 1.0 C2D J:HEM601 4.3 57.3 1.0 C2B J:HEM601 4.3 67.2 1.0 C3B J:HEM601 4.3 67.9 1.0 C3C J:HEM601 4.3 64.7 1.0 C2C J:HEM601 4.3 57.9 1.0 CA J:CYS442 4.3 65.1 1.0 HHA J:HEM601 4.4 70.0 1.0 HHB J:HEM601 4.4 88.7 1.0 HHC J:HEM601 4.4 78.3 1.0 HHD J:HEM601 4.4 77.5 1.0 HB3 J:CYS442 4.4 81.3 1.0 HG21 J:THR309 4.6 82.8 1.0 H J:ILE443 4.7 72.0 1.0 HD1 J:PHE435 4.7 78.3 1.0 CB J:ALA305 4.7 62.1 1.0 HG1 J:THR309 4.7 69.3 1.0 C24 J:ZQK602 4.7 70.8 1.0 C01 J:ZQK602 4.8 71.2 1.0 H013 J:ZQK602 4.9 85.3 1.0 C J:ALA305 4.9 72.0 1.0 H031 J:ZQK602 5.0 80.9 1.0

J.Liu, S.E.Kandel, J.N.Lampe, E.E.Scott. Human Cytochrome P450 3A7 Binding Four Copies of Its Native Substrate Dehydroepiandrosterone 3-Sulfate. J.Biol.Chem. 04993 2023.
ISSN: ESSN 1083-351X
PubMed: 37392852
DOI: 10.1016/J.JBC.2023.104993