Iron in PDB 7m8v: Human CYP11B2 in Complex with LCI699

All present enzymatic activity of Human CYP11B2 in Complex with LCI699:
1.14.15.4; 1.14.15.5;

The structure of Human CYP11B2 in Complex with LCI699, PDB code: 7m8v was solved by E.E.Scott, S.Brixius-Anderko, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.95 / 3.08
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	123.946, 126.423, 174.928, 82.81, 70.03, 79.37
R / Rfree (%)	20.2 / 24.2

The structure of Human CYP11B2 in Complex with LCI699 also contains other interesting chemical elements:

Fluorine

(F)

12 atoms

Pages:

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

Binding sites:

The binding sites of Iron atom in the Human CYP11B2 in Complex with LCI699 (pdb code 7m8v). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 12 binding sites of Iron where determined in the Human CYP11B2 in Complex with LCI699, PDB code: 7m8v:
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 Human CYP11B2 in Complex with LCI699


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Human CYP11B2 in Complex with LCI699 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe602 b:52.5 occ:1.00 FE A:HEM602 0.0 52.5 1.0 NC A:HEM602 2.0 47.3 1.0 NB A:HEM602 2.0 42.1 1.0 ND A:HEM602 2.0 43.1 1.0 NA A:HEM602 2.1 45.8 1.0 N15 A:YSY601 2.4 45.4 1.0 SG A:CYS450 2.7 51.0 1.0 C1C A:HEM602 3.0 56.5 1.0 C4B A:HEM602 3.0 56.5 1.0 C4C A:HEM602 3.0 53.5 1.0 HB2 A:CYS450 3.0 52.1 1.0 C1B A:HEM602 3.0 47.2 1.0 C1D A:HEM602 3.1 42.0 1.0 C4D A:HEM602 3.1 48.3 1.0 C1A A:HEM602 3.1 47.5 1.0 C4A A:HEM602 3.1 46.0 1.0 H141 A:YSY601 3.2 55.4 1.0 C14 A:YSY601 3.3 46.0 1.0 CHC A:HEM602 3.4 49.9 1.0 CB A:CYS450 3.4 43.2 1.0 CHD A:HEM602 3.4 49.6 1.0 C16 A:YSY601 3.4 45.4 1.0 CHA A:HEM602 3.4 41.9 1.0 CHB A:HEM602 3.4 44.6 1.0 H161 A:YSY601 3.5 54.7 1.0 HA A:CYS450 3.8 45.4 1.0 CA A:CYS450 4.1 37.7 1.0 C2C A:HEM602 4.2 44.5 1.0 HB3 A:CYS450 4.2 52.1 1.0 HD2 A:PHE443 4.2 47.1 1.0 C3C A:HEM602 4.2 43.1 1.0 C3B A:HEM602 4.2 38.8 1.0 C2B A:HEM602 4.2 38.6 1.0 H A:GLY452 4.2 43.2 1.0 C2D A:HEM602 4.3 30.5 1.0 C3D A:HEM602 4.3 38.3 1.0 H A:LEU451 4.3 45.7 1.0 C3A A:HEM602 4.3 37.5 1.0 C2A A:HEM602 4.3 33.3 1.0 HHC A:HEM602 4.3 60.0 1.0 HHD A:HEM602 4.4 59.8 1.0 HHA A:HEM602 4.4 50.4 1.0 HHB A:HEM602 4.4 53.7 1.0 C13 A:YSY601 4.6 35.0 1.0 N17 A:YSY601 4.6 35.5 1.0 N A:LEU451 4.8 37.9 1.0 HG1 A:THR318 4.9 64.6 1.0 C A:CYS450 4.9 38.8 1.0

Iron binding site 2 out of 12 in the Human CYP11B2 in Complex with LCI699


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Human CYP11B2 in Complex with LCI699 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe602 b:92.3 occ:1.00 FE B:HEM602 0.0 92.3 1.0 NB B:HEM602 2.0 52.3 1.0 NA B:HEM602 2.0 54.0 1.0 NC B:HEM602 2.0 49.7 1.0 ND B:HEM602 2.0 49.9 1.0 N15 B:YSY601 2.4 48.0 1.0 SG B:CYS450 2.7 67.3 1.0 C1B B:HEM602 3.0 53.1 1.0 C4B B:HEM602 3.0 54.0 1.0 C4A B:HEM602 3.0 53.9 1.0 C1C B:HEM602 3.0 50.3 1.0 C4C B:HEM602 3.1 48.6 1.0 C1A B:HEM602 3.1 51.4 1.0 C1D B:HEM602 3.1 48.4 1.0 C4D B:HEM602 3.1 51.3 1.0 H141 B:YSY601 3.2 59.1 1.0 HB2 B:CYS450 3.2 62.6 1.0 C14 B:YSY601 3.3 49.1 1.0 CHB B:HEM602 3.4 51.3 1.0 CHC B:HEM602 3.4 49.0 1.0 C16 B:YSY601 3.4 48.1 1.0 CHD B:HEM602 3.4 45.7 1.0 CHA B:HEM602 3.4 48.9 1.0 CB B:CYS450 3.5 52.0 1.0 H161 B:YSY601 3.5 57.9 1.0 HA B:CYS450 3.8 61.0 1.0 H B:GLY452 4.1 47.9 1.0 C2B B:HEM602 4.2 46.4 1.0 H B:LEU451 4.2 55.0 1.0 C3B B:HEM602 4.2 45.9 1.0 CA B:CYS450 4.2 50.6 1.0 C3A B:HEM602 4.3 46.5 1.0 C2C B:HEM602 4.3 39.7 1.0 C3C B:HEM602 4.3 45.8 1.0 HD2 B:PHE443 4.3 55.1 1.0 C2A B:HEM602 4.3 42.5 1.0 C2D B:HEM602 4.3 42.9 1.0 C3D B:HEM602 4.3 43.8 1.0 HB3 B:CYS450 4.3 62.6 1.0 HHB B:HEM602 4.4 61.8 1.0 HHC B:HEM602 4.4 59.0 1.0 HHA B:HEM602 4.4 58.8 1.0 HHD B:HEM602 4.4 55.0 1.0 C13 B:YSY601 4.6 41.6 1.0 N17 B:YSY601 4.6 40.9 1.0 HG1 B:THR318 4.7 62.1 1.0 N B:LEU451 4.8 45.6 1.0 N B:GLY452 4.9 39.7 1.0 C B:CYS450 5.0 48.8 1.0

Iron binding site 3 out of 12 in the Human CYP11B2 in Complex with LCI699


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Human CYP11B2 in Complex with LCI699 within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe602 b:59.9 occ:1.00 FE C:HEM602 0.0 59.9 1.0 NB C:HEM602 2.0 34.8 1.0 NC C:HEM602 2.0 33.1 1.0 NA C:HEM602 2.0 40.2 1.0 ND C:HEM602 2.1 34.7 1.0 N15 C:YSY601 2.4 44.6 1.0 HG C:CYS450 2.5 119.6 1.0 SG C:CYS450 2.6 99.5 1.0 C4B C:HEM602 3.0 42.2 1.0 C1C C:HEM602 3.0 32.6 1.0 C1B C:HEM602 3.0 44.5 1.0 C4A C:HEM602 3.1 50.0 1.0 C4C C:HEM602 3.1 42.5 1.0 C1A C:HEM602 3.1 45.2 1.0 C4D C:HEM602 3.1 39.5 1.0 C1D C:HEM602 3.1 40.0 1.0 H141 C:YSY601 3.2 48.8 1.0 HB2 C:CYS450 3.3 57.9 1.0 C14 C:YSY601 3.3 40.5 1.0 CHC C:HEM602 3.4 46.5 1.0 CHB C:HEM602 3.4 44.4 1.0 CHA C:HEM602 3.4 48.6 1.0 CHD C:HEM602 3.5 35.8 1.0 C16 C:YSY601 3.5 43.1 1.0 CB C:CYS450 3.5 48.1 1.0 H161 C:YSY601 3.6 51.9 1.0 HA C:CYS450 3.9 57.6 1.0 H C:GLY452 4.1 38.6 1.0 C3B C:HEM602 4.2 33.9 1.0 C2C C:HEM602 4.2 33.5 1.0 C2B C:HEM602 4.2 34.7 1.0 CA C:CYS450 4.2 47.8 1.0 C3C C:HEM602 4.3 42.2 1.0 C3A C:HEM602 4.3 40.8 1.0 HD2 C:PHE443 4.3 53.7 1.0 C2A C:HEM602 4.3 34.4 1.0 C3D C:HEM602 4.3 33.4 1.0 C2D C:HEM602 4.3 33.5 1.0 HB3 C:CYS450 4.3 57.9 1.0 HHC C:HEM602 4.3 55.9 1.0 HHB C:HEM602 4.4 53.4 1.0 HHA C:HEM602 4.4 58.5 1.0 H C:LEU451 4.4 52.4 1.0 HHD C:HEM602 4.4 43.1 1.0 C13 C:YSY601 4.6 35.9 1.0 N17 C:YSY601 4.6 37.0 1.0 HG1 C:THR318 4.8 60.1 1.0 N C:LEU451 4.8 43.5 1.0 HG21 C:THR318 4.9 55.8 1.0 N C:GLY452 4.9 32.0 1.0 C C:CYS450 4.9 42.6 1.0

Iron binding site 4 out of 12 in the Human CYP11B2 in Complex with LCI699


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Human CYP11B2 in Complex with LCI699 within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe602 b:42.0 occ:1.00 FE D:HEM602 0.0 42.0 1.0 NB D:HEM602 2.0 42.8 1.0 NC D:HEM602 2.0 40.9 1.0 NA D:HEM602 2.0 46.4 1.0 ND D:HEM602 2.1 47.1 1.0 N15 D:YSY601 2.4 41.2 1.0 SG D:CYS450 2.7 64.9 1.0 C1B D:HEM602 3.0 40.8 1.0 C4B D:HEM602 3.0 42.5 1.0 C1C D:HEM602 3.0 43.6 1.0 C4A D:HEM602 3.0 47.3 1.0 C4C D:HEM602 3.0 43.3 1.0 H141 D:YSY601 3.1 51.0 1.0 C1A D:HEM602 3.1 44.2 1.0 C1D D:HEM602 3.1 41.3 1.0 C4D D:HEM602 3.1 46.5 1.0 HB2 D:CYS450 3.2 60.6 1.0 C14 D:YSY601 3.2 42.4 1.0 CHB D:HEM602 3.4 40.1 1.0 CHC D:HEM602 3.4 39.4 1.0 CHD D:HEM602 3.5 39.6 1.0 CHA D:HEM602 3.5 44.3 1.0 C16 D:YSY601 3.5 43.0 1.0 CB D:CYS450 3.5 50.4 1.0 H161 D:YSY601 3.7 51.8 1.0 HA D:CYS450 3.8 54.6 1.0 H D:GLY452 4.1 48.8 1.0 C2B D:HEM602 4.2 39.3 1.0 C3B D:HEM602 4.2 39.2 1.0 C2C D:HEM602 4.2 40.8 1.0 HD2 D:PHE443 4.2 55.4 1.0 C3C D:HEM602 4.2 43.8 1.0 CA D:CYS450 4.3 45.4 1.0 C3A D:HEM602 4.3 48.4 1.0 C2A D:HEM602 4.3 41.4 1.0 C2D D:HEM602 4.3 35.2 1.0 C3D D:HEM602 4.3 40.9 1.0 HB3 D:CYS450 4.4 60.6 1.0 HHB D:HEM602 4.4 48.3 1.0 HHC D:HEM602 4.4 47.5 1.0 HHD D:HEM602 4.4 47.7 1.0 HHA D:HEM602 4.4 53.4 1.0 H D:LEU451 4.5 53.8 1.0 C13 D:YSY601 4.5 39.5 1.0 N17 D:YSY601 4.6 41.8 1.0 HG1 D:THR318 4.7 60.1 1.0 N D:LEU451 4.9 44.7 1.0 N D:GLY452 5.0 40.5 1.0

Iron binding site 5 out of 12 in the Human CYP11B2 in Complex with LCI699


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Human CYP11B2 in Complex with LCI699 within 5.0Å range: probe atom residue distance (Å) B Occ E:Fe602 b:50.6 occ:1.00 FE E:HEM602 0.0 50.6 1.0 NC E:HEM602 2.0 40.4 1.0 NA E:HEM602 2.0 45.9 1.0 NB E:HEM602 2.0 40.5 1.0 ND E:HEM602 2.0 44.5 1.0 N15 E:YSY601 2.4 73.9 1.0 SG E:CYS450 2.7 108.6 1.0 C1C E:HEM602 3.0 46.2 1.0 C4C E:HEM602 3.0 43.5 1.0 C4B E:HEM602 3.0 45.5 1.0 C1D E:HEM602 3.1 42.7 1.0 C4A E:HEM602 3.1 45.5 1.0 C1A E:HEM602 3.1 44.2 1.0 C1B E:HEM602 3.1 44.5 1.0 C4D E:HEM602 3.1 43.2 1.0 HB2 E:CYS450 3.2 57.9 1.0 H141 E:YSY601 3.2 49.0 1.0 C14 E:YSY601 3.3 40.6 1.0 C16 E:YSY601 3.4 46.3 1.0 CHC E:HEM602 3.4 43.6 1.0 CHD E:HEM602 3.4 40.3 1.0 CHA E:HEM602 3.4 42.4 1.0 CHB E:HEM602 3.4 44.3 1.0 H161 E:YSY601 3.4 55.8 1.0 CB E:CYS450 3.5 48.1 1.0 HA E:CYS450 3.8 54.1 1.0 H E:GLY452 4.2 50.6 1.0 CA E:CYS450 4.2 44.9 1.0 C2C E:HEM602 4.2 44.8 1.0 C3C E:HEM602 4.2 43.1 1.0 HD2 E:PHE443 4.2 50.1 1.0 C3B E:HEM602 4.3 39.2 1.0 C3A E:HEM602 4.3 41.1 1.0 C2D E:HEM602 4.3 29.5 1.0 C2B E:HEM602 4.3 33.8 1.0 C2A E:HEM602 4.3 41.6 1.0 C3D E:HEM602 4.3 30.8 1.0 HB3 E:CYS450 4.3 57.9 1.0 H E:LEU451 4.3 59.5 1.0 HHC E:HEM602 4.4 52.5 1.0 HHD E:HEM602 4.4 48.5 1.0 HHA E:HEM602 4.4 51.0 1.0 HHB E:HEM602 4.4 53.3 1.0 C13 E:YSY601 4.5 37.4 1.0 N17 E:YSY601 4.6 35.6 1.0 N E:LEU451 4.8 49.4 1.0 HG1 E:THR318 4.9 59.0 1.0 C E:CYS450 4.9 45.9 1.0 N E:GLY452 4.9 42.0 1.0

Iron binding site 6 out of 12 in the Human CYP11B2 in Complex with LCI699


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Human CYP11B2 in Complex with LCI699 within 5.0Å range: probe atom residue distance (Å) B Occ F:Fe602 b:79.4 occ:1.00 FE F:HEM602 0.0 79.4 1.0 NC F:HEM602 2.0 47.8 1.0 NB F:HEM602 2.0 54.2 1.0 ND F:HEM602 2.0 51.9 1.0 NA F:HEM602 2.1 62.1 1.0 N15 F:YSY601 2.4 71.3 1.0 SG F:CYS450 2.8 94.5 1.0 C1C F:HEM602 3.0 49.5 1.0 C4C F:HEM602 3.0 62.4 1.0 C4B F:HEM602 3.0 58.7 1.0 C1D F:HEM602 3.1 53.7 1.0 C1B F:HEM602 3.1 61.4 1.0 C4D F:HEM602 3.1 63.2 1.0 C1A F:HEM602 3.1 68.5 1.0 C4A F:HEM602 3.1 65.6 1.0 H141 F:YSY601 3.2 75.3 1.0 HB2 F:CYS450 3.3 70.9 1.0 C14 F:YSY601 3.3 62.5 1.0 CHC F:HEM602 3.4 56.0 1.0 CHD F:HEM602 3.4 45.6 1.0 CHA F:HEM602 3.4 67.0 1.0 CHB F:HEM602 3.5 51.6 1.0 C16 F:YSY601 3.5 54.8 1.0 CB F:CYS450 3.6 58.9 1.0 H161 F:YSY601 3.6 65.9 1.0 HA F:CYS450 3.7 68.1 1.0 H F:GLY452 4.1 46.4 1.0 CA F:CYS450 4.2 56.5 1.0 C2C F:HEM602 4.2 41.4 1.0 C3C F:HEM602 4.2 41.0 1.0 HD2 F:PHE443 4.2 61.2 1.0 C3B F:HEM602 4.2 43.0 1.0 C2B F:HEM602 4.3 42.0 1.0 C2D F:HEM602 4.3 42.0 1.0 C3D F:HEM602 4.3 46.3 1.0 C3A F:HEM602 4.3 47.1 1.0 C2A F:HEM602 4.3 50.0 1.0 HHC F:HEM602 4.4 67.4 1.0 HHD F:HEM602 4.4 54.9 1.0 HB3 F:CYS450 4.4 70.9 1.0 HHA F:HEM602 4.4 80.6 1.0 H F:LEU451 4.4 57.5 1.0 HHB F:HEM602 4.4 62.2 1.0 C13 F:YSY601 4.5 47.7 1.0 N17 F:YSY601 4.6 45.8 1.0 HG1 F:THR318 4.7 57.1 1.0 N F:LEU451 4.8 47.8 1.0 N F:GLY452 4.9 38.5 1.0 C F:CYS450 4.9 54.8 1.0

Iron binding site 7 out of 12 in the Human CYP11B2 in Complex with LCI699


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Human CYP11B2 in Complex with LCI699 within 5.0Å range: probe atom residue distance (Å) B Occ G:Fe602 b:55.4 occ:1.00 FE G:HEM602 0.0 55.4 1.0 NC G:HEM602 2.0 47.6 1.0 ND G:HEM602 2.0 44.1 1.0 NB G:HEM602 2.0 46.8 1.0 NA G:HEM602 2.1 52.7 1.0 N15 G:YSY601 2.4 53.5 1.0 SG G:CYS450 2.7 60.8 1.0 C4C G:HEM602 3.0 50.1 1.0 C1D G:HEM602 3.0 42.7 1.0 C1C G:HEM602 3.0 50.6 1.0 C4D G:HEM602 3.1 50.4 1.0 C4B G:HEM602 3.1 48.3 1.0 C1B G:HEM602 3.1 50.6 1.0 C4A G:HEM602 3.1 52.9 1.0 C1A G:HEM602 3.1 51.2 1.0 HB2 G:CYS450 3.3 68.5 1.0 H141 G:YSY601 3.3 66.9 1.0 C14 G:YSY601 3.4 55.6 1.0 CHD G:HEM602 3.4 46.7 1.0 CHC G:HEM602 3.4 48.6 1.0 CHA G:HEM602 3.4 50.2 1.0 CHB G:HEM602 3.5 52.9 1.0 C16 G:YSY601 3.5 54.2 1.0 CB G:CYS450 3.5 56.9 1.0 H161 G:YSY601 3.5 65.2 1.0 HA G:CYS450 3.8 67.9 1.0 H G:GLY452 4.0 58.6 1.0 CA G:CYS450 4.2 56.4 1.0 C3C G:HEM602 4.2 49.6 1.0 C2C G:HEM602 4.2 47.9 1.0 C2D G:HEM602 4.2 46.6 1.0 C3D G:HEM602 4.3 48.7 1.0 H G:LEU451 4.3 63.6 1.0 C2B G:HEM602 4.3 49.2 1.0 C3B G:HEM602 4.3 44.5 1.0 HD2 G:PHE443 4.3 64.0 1.0 C3A G:HEM602 4.3 47.8 1.0 C2A G:HEM602 4.3 39.8 1.0 HHD G:HEM602 4.4 56.3 1.0 HB3 G:CYS450 4.4 68.5 1.0 HHC G:HEM602 4.4 58.5 1.0 HHA G:HEM602 4.4 60.5 1.0 HHB G:HEM602 4.4 63.7 1.0 C13 G:YSY601 4.6 50.4 1.0 N17 G:YSY601 4.6 53.0 1.0 N G:LEU451 4.8 52.8 1.0 HG1 G:THR318 4.8 71.4 1.0 N G:GLY452 4.9 48.7 1.0 C G:CYS450 5.0 55.2 1.0

Iron binding site 8 out of 12 in the Human CYP11B2 in Complex with LCI699


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Human CYP11B2 in Complex with LCI699 within 5.0Å range: probe atom residue distance (Å) B Occ H:Fe602 b:62.4 occ:1.00 FE H:HEM602 0.0 62.4 1.0 NC H:HEM602 2.0 47.2 1.0 ND H:HEM602 2.0 48.1 1.0 NB H:HEM602 2.0 49.5 1.0 NA H:HEM602 2.1 56.9 1.0 N15 H:YSY601 2.4 59.6 1.0 SG H:CYS450 2.8 72.4 1.0 C4C H:HEM602 3.0 57.3 1.0 C1C H:HEM602 3.0 57.2 1.0 C1D H:HEM602 3.0 46.8 1.0 C4B H:HEM602 3.1 56.9 1.0 C4D H:HEM602 3.1 56.7 1.0 C1B H:HEM602 3.1 54.7 1.0 C1A H:HEM602 3.1 53.9 1.0 C4A H:HEM602 3.1 56.1 1.0 HB2 H:CYS450 3.1 66.8 1.0 H141 H:YSY601 3.4 68.5 1.0 CHD H:HEM602 3.4 49.8 1.0 C16 H:YSY601 3.4 61.4 1.0 CHC H:HEM602 3.4 52.8 1.0 C14 H:YSY601 3.4 56.9 1.0 H161 H:YSY601 3.4 73.9 1.0 CHA H:HEM602 3.4 52.9 1.0 CHB H:HEM602 3.5 52.8 1.0 CB H:CYS450 3.5 55.5 1.0 HA H:CYS450 3.7 65.8 1.0 H H:GLY452 4.1 63.0 1.0 CA H:CYS450 4.2 54.7 1.0 C3C H:HEM602 4.2 51.1 1.0 C2C H:HEM602 4.2 50.5 1.0 H H:LEU451 4.2 68.6 1.0 C2D H:HEM602 4.3 47.6 1.0 C3D H:HEM602 4.3 48.4 1.0 C3B H:HEM602 4.3 45.9 1.0 HD2 H:PHE443 4.3 59.2 1.0 C2B H:HEM602 4.3 46.7 1.0 HB3 H:CYS450 4.3 66.8 1.0 C3A H:HEM602 4.3 46.7 1.0 C2A H:HEM602 4.3 38.2 1.0 HHD H:HEM602 4.4 60.0 1.0 HHC H:HEM602 4.4 63.6 1.0 HHA H:HEM602 4.4 63.6 1.0 HHB H:HEM602 4.4 63.6 1.0 N17 H:YSY601 4.6 52.9 1.0 C13 H:YSY601 4.6 51.1 1.0 N H:LEU451 4.7 57.0 1.0 HG1 H:THR318 4.9 75.5 1.0 C H:CYS450 4.9 58.6 1.0 N H:GLY452 5.0 52.3 1.0

Iron binding site 9 out of 12 in the Human CYP11B2 in Complex with LCI699


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Human CYP11B2 in Complex with LCI699 within 5.0Å range: probe atom residue distance (Å) B Occ I:Fe602 b:83.1 occ:1.00 FE I:HEM602 0.0 83.1 1.0 NB I:HEM602 2.0 52.2 1.0 NC I:HEM602 2.0 51.4 1.0 NA I:HEM602 2.0 56.2 1.0 ND I:HEM602 2.0 54.3 1.0 N15 I:YSY601 2.4 55.5 1.0 SG I:CYS450 2.7 72.5 1.0 C4B I:HEM602 3.0 54.5 1.0 C1C I:HEM602 3.0 51.5 1.0 C1B I:HEM602 3.0 55.0 1.0 C4D I:HEM602 3.0 59.5 1.0 C4C I:HEM602 3.0 52.9 1.0 C1A I:HEM602 3.1 58.3 1.0 C4A I:HEM602 3.1 57.1 1.0 C1D I:HEM602 3.1 51.1 1.0 H141 I:YSY601 3.3 65.6 1.0 HB2 I:CYS450 3.3 74.1 1.0 C14 I:YSY601 3.3 54.5 1.0 CHC I:HEM602 3.4 51.4 1.0 C16 I:YSY601 3.4 53.2 1.0 CHA I:HEM602 3.4 60.0 1.0 CHB I:HEM602 3.4 54.1 1.0 CHD I:HEM602 3.4 48.7 1.0 H161 I:YSY601 3.5 64.0 1.0 CB I:CYS450 3.6 61.6 1.0 HA I:CYS450 3.8 73.3 1.0 H I:GLY452 4.1 56.3 1.0 CA I:CYS450 4.2 60.9 1.0 C3B I:HEM602 4.2 50.4 1.0 C2C I:HEM602 4.2 49.4 1.0 C2B I:HEM602 4.2 48.0 1.0 C3C I:HEM602 4.3 46.4 1.0 C3D I:HEM602 4.3 55.6 1.0 C2A I:HEM602 4.3 45.1 1.0 C2D I:HEM602 4.3 45.8 1.0 C3A I:HEM602 4.3 52.6 1.0 H I:LEU451 4.3 67.9 1.0 HHC I:HEM602 4.4 61.9 1.0 HB3 I:CYS450 4.4 74.1 1.0 HHA I:HEM602 4.4 72.2 1.0 HHB I:HEM602 4.4 65.1 1.0 HHD I:HEM602 4.4 58.6 1.0 HD2 I:PHE443 4.5 67.2 1.0 C13 I:YSY601 4.6 51.0 1.0 N17 I:YSY601 4.6 44.2 1.0 HG1 I:THR318 4.8 75.3 1.0 N I:LEU451 4.8 56.4 1.0 N I:GLY452 4.9 46.7 1.0 C I:CYS450 5.0 59.7 1.0 HG21 I:THR318 5.0 68.0 1.0

Iron binding site 10 out of 12 in the Human CYP11B2 in Complex with LCI699


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Human CYP11B2 in Complex with LCI699 within 5.0Å range: probe atom residue distance (Å) B Occ J:Fe602 b:102.8 occ:1.00 FE J:HEM602 0.0 102.8 1.0 ND J:HEM602 2.0 48.8 1.0 NC J:HEM602 2.0 47.2 1.0 NB J:HEM602 2.0 44.3 1.0 NA J:HEM602 2.1 47.2 1.0 N15 J:YSY601 2.4 50.8 1.0 SG J:CYS450 2.8 67.2 1.0 C4D J:HEM602 3.0 48.5 1.0 C1D J:HEM602 3.0 45.1 1.0 HG J:CYS450 3.0 80.9 1.0 C4C J:HEM602 3.0 49.1 1.0 C1C J:HEM602 3.1 46.2 1.0 C4B J:HEM602 3.1 44.5 1.0 C1A J:HEM602 3.1 45.0 1.0 C1B J:HEM602 3.1 41.5 1.0 C4A J:HEM602 3.1 46.1 1.0 HB2 J:CYS450 3.1 72.1 1.0 H141 J:YSY601 3.2 63.2 1.0 C14 J:YSY601 3.3 52.5 1.0 CHD J:HEM602 3.4 47.1 1.0 CHA J:HEM602 3.4 49.4 1.0 CHC J:HEM602 3.4 48.7 1.0 C16 J:YSY601 3.5 50.4 1.0 CHB J:HEM602 3.5 44.9 1.0 CB J:CYS450 3.5 59.9 1.0 H161 J:YSY601 3.6 60.7 1.0 HA J:CYS450 3.7 76.4 1.0 CA J:CYS450 4.1 63.5 1.0 H J:GLY452 4.1 73.2 1.0 HD2 J:PHE443 4.2 75.7 1.0 C3D J:HEM602 4.2 53.5 1.0 C2C J:HEM602 4.3 53.9 1.0 C2D J:HEM602 4.3 51.5 1.0 H J:LEU451 4.3 72.2 1.0 C3C J:HEM602 4.3 55.6 1.0 C3B J:HEM602 4.3 51.2 1.0 C2B J:HEM602 4.3 52.1 1.0 C2A J:HEM602 4.3 43.9 1.0 C3A J:HEM602 4.3 46.9 1.0 HB3 J:CYS450 4.3 72.1 1.0 HHD J:HEM602 4.4 56.7 1.0 HHA J:HEM602 4.4 59.4 1.0 HHC J:HEM602 4.4 58.7 1.0 HHB J:HEM602 4.4 54.1 1.0 C13 J:YSY601 4.6 54.4 1.0 N17 J:YSY601 4.6 55.1 1.0 N J:LEU451 4.8 60.0 1.0 HG1 J:THR318 4.8 62.8 1.0 C J:CYS450 4.9 63.7 1.0 N J:GLY452 4.9 60.9 1.0

S.Brixius-Anderko, E.E.Scott. Aldosterone Synthase Structure with Cushing'S Disease Drug LCI699 Highlights Avenues For Selective CYP11B Drug Design To Be Published.