Iron in PDB 3qz1: Crystal Structure of Bovine Steroid of 21-Hydroxylase (P450C21)

All present enzymatic activity of Crystal Structure of Bovine Steroid of 21-Hydroxylase (P450C21):
1.14.99.10;

The structure of Crystal Structure of Bovine Steroid of 21-Hydroxylase (P450C21), PDB code: 3qz1 was solved by B.Zhao, M.R.Waterman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 3.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	67.871, 167.998, 111.843, 90.00, 90.09, 90.00
R / Rfree (%)	28.2 / 29.7

The binding sites of Iron atom in the Crystal Structure of Bovine Steroid of 21-Hydroxylase (P450C21) (pdb code 3qz1). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of Bovine Steroid of 21-Hydroxylase (P450C21), PDB code: 3qz1:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of Bovine Steroid of 21-Hydroxylase (P450C21)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Bovine Steroid of 21-Hydroxylase (P450C21) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe500 b:76.9 occ:1.00 FE A:HEM500 0.0 76.9 1.0 ND A:HEM500 2.0 77.7 1.0 NA A:HEM500 2.0 90.1 1.0 NC A:HEM500 2.0 73.7 1.0 NB A:HEM500 2.0 70.0 1.0 SG A:CYS427 2.7 83.5 1.0 C4D A:HEM500 3.0 82.7 1.0 C1D A:HEM500 3.0 0.0 1.0 C1A A:HEM500 3.0 76.8 1.0 C4A A:HEM500 3.0 65.7 1.0 C1B A:HEM500 3.1 81.1 1.0 C1C A:HEM500 3.1 81.5 1.0 C4C A:HEM500 3.1 79.6 1.0 C4B A:HEM500 3.1 80.6 1.0 CHA A:HEM500 3.4 71.4 1.0 CHD A:HEM500 3.4 87.1 1.0 CHB A:HEM500 3.4 92.5 1.0 CHC A:HEM500 3.5 95.8 1.0 OAD A:3QZ501 4.2 78.3 1.0 C3D A:HEM500 4.3 73.3 1.0 C2D A:HEM500 4.3 1.0 1.0 C2A A:HEM500 4.3 84.3 1.0 C3A A:HEM500 4.3 75.6 1.0 C2B A:HEM500 4.3 78.2 1.0 C3B A:HEM500 4.3 86.4 1.0 C3C A:HEM500 4.3 73.2 1.0 C2C A:HEM500 4.4 92.2 1.0 CB A:CYS427 4.4 94.3 1.0 CAP A:3QZ501 4.5 77.5 1.0 CAA A:3QZ501 4.8 81.3 1.0 CAO A:3QZ501 4.9 54.4 1.0 CG2 A:THR294 5.0 0.9 1.0

Iron binding site 2 out of 4 in the Crystal Structure of Bovine Steroid of 21-Hydroxylase (P450C21)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Bovine Steroid of 21-Hydroxylase (P450C21) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe500 b:51.2 occ:1.00 FE B:HEM500 0.0 51.2 1.0 ND B:HEM500 2.0 93.3 1.0 NA B:HEM500 2.0 0.2 1.0 NC B:HEM500 2.0 0.3 1.0 NB B:HEM500 2.0 0.3 1.0 SG B:CYS427 2.9 78.2 1.0 C4D B:HEM500 3.0 78.5 1.0 C1D B:HEM500 3.0 78.2 1.0 C1A B:HEM500 3.0 89.0 1.0 C4A B:HEM500 3.0 0.0 1.0 C1B B:HEM500 3.1 0.0 1.0 C4C B:HEM500 3.1 94.8 1.0 C1C B:HEM500 3.1 72.7 1.0 C4B B:HEM500 3.1 0.2 1.0 CHA B:HEM500 3.4 0.7 1.0 CHD B:HEM500 3.4 0.1 1.0 CHB B:HEM500 3.4 1.0 1.0 CHC B:HEM500 3.5 0.6 1.0 C3D B:HEM500 4.2 0.4 1.0 C2D B:HEM500 4.3 0.6 1.0 C2A B:HEM500 4.3 0.2 1.0 C3A B:HEM500 4.3 0.8 1.0 C2B B:HEM500 4.3 0.5 1.0 CB B:CYS427 4.3 0.0 1.0 C3B B:HEM500 4.3 0.3 1.0 C3C B:HEM500 4.3 0.9 1.0 C2C B:HEM500 4.3 0.7 1.0 OAD B:3QZ501 4.4 76.5 1.0 CAP B:3QZ501 4.6 93.3 1.0 CAO B:3QZ501 4.9 54.4 1.0 CG2 B:THR294 4.9 0.3 1.0 CAA B:3QZ501 4.9 81.9 1.0 OG1 B:THR294 4.9 0.3 1.0

Iron binding site 3 out of 4 in the Crystal Structure of Bovine Steroid of 21-Hydroxylase (P450C21)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of Bovine Steroid of 21-Hydroxylase (P450C21) within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe500 b:85.9 occ:1.00 FE C:HEM500 0.0 85.9 1.0 ND C:HEM500 2.0 68.0 1.0 NC C:HEM500 2.0 70.7 1.0 NA C:HEM500 2.0 76.5 1.0 NB C:HEM500 2.0 0.8 1.0 SG C:CYS427 2.8 0.1 1.0 C4D C:HEM500 3.0 83.0 1.0 C1D C:HEM500 3.0 92.3 1.0 C1C C:HEM500 3.0 0.6 1.0 C1A C:HEM500 3.0 0.8 1.0 C4A C:HEM500 3.1 96.4 1.0 C1B C:HEM500 3.1 91.3 1.0 C4C C:HEM500 3.1 0.0 1.0 C4B C:HEM500 3.1 0.3 1.0 CHA C:HEM500 3.4 0.8 1.0 CHD C:HEM500 3.4 0.6 1.0 CHB C:HEM500 3.4 77.7 1.0 CHC C:HEM500 3.4 0.5 1.0 C2D C:HEM500 4.3 91.8 1.0 C3D C:HEM500 4.3 72.2 1.0 C2A C:HEM500 4.3 95.0 1.0 C3A C:HEM500 4.3 89.6 1.0 C2C C:HEM500 4.3 0.1 1.0 C3C C:HEM500 4.3 0.2 1.0 C3B C:HEM500 4.3 0.9 1.0 C2B C:HEM500 4.3 87.7 1.0 OAD C:3QZ501 4.4 80.7 1.0 CB C:CYS427 4.4 0.5 1.0 CG2 C:THR294 4.8 0.7 1.0 CAP C:3QZ501 4.8 59.7 1.0 CAA C:3QZ501 4.8 83.2 1.0 OG1 C:THR294 4.9 0.7 1.0 CB C:THR294 5.0 97.8 1.0

Iron binding site 4 out of 4 in the Crystal Structure of Bovine Steroid of 21-Hydroxylase (P450C21)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of Bovine Steroid of 21-Hydroxylase (P450C21) within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe500 b:86.3 occ:1.00 FE D:HEM500 0.0 86.3 1.0 ND D:HEM500 2.0 72.8 1.0 NC D:HEM500 2.0 84.5 1.0 NA D:HEM500 2.0 91.4 1.0 NB D:HEM500 2.0 78.0 1.0 SG D:CYS427 2.8 90.2 1.0 C4D D:HEM500 3.0 88.7 1.0 C1D D:HEM500 3.0 87.9 1.0 C1A D:HEM500 3.0 0.1 1.0 C1C D:HEM500 3.0 0.9 1.0 C4C D:HEM500 3.1 0.4 1.0 C1B D:HEM500 3.1 0.8 1.0 C4A D:HEM500 3.1 94.8 1.0 C4B D:HEM500 3.1 94.8 1.0 CHA D:HEM500 3.4 0.8 1.0 CHD D:HEM500 3.4 0.2 1.0 CHB D:HEM500 3.4 1.0 1.0 CHC D:HEM500 3.4 0.1 1.0 CB D:CYS427 4.1 0.2 1.0 C2D D:HEM500 4.2 62.2 1.0 C3D D:HEM500 4.2 62.5 1.0 C2A D:HEM500 4.3 99.9 1.0 OAD D:3QZ501 4.3 95.0 1.0 C3A D:HEM500 4.3 73.8 1.0 C3C D:HEM500 4.3 0.8 1.0 C2C D:HEM500 4.3 0.6 1.0 C2B D:HEM500 4.3 0.8 1.0 C3B D:HEM500 4.3 0.9 1.0 CAA D:3QZ501 4.3 59.1 1.0 CAP D:3QZ501 4.4 0.0 1.0 CD1 D:PHE420 4.8 0.1 1.0 OG1 D:THR294 4.9 0.9 1.0 CG2 D:THR294 5.0 0.3 1.0

B.Zhao, L.Lei, M.Sundaramoorthy, N.Kagawa, M.R.Waterman. Crystal Structure of Bovine Steroid of 21-Hydroxylase (P450C21) To Be Published.