Iron in PDB 8dme: CYP102A1 in Open Conformation

All present enzymatic activity of CYP102A1 in Open Conformation:
1.14.14.1; 1.6.2.4;

The binding sites of Iron atom in the CYP102A1 in Open Conformation (pdb code 8dme). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the CYP102A1 in Open Conformation, PDB code: 8dme:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the CYP102A1 in Open Conformation


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of CYP102A1 in Open Conformation within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1101 b:11.9 occ:1.00 FE A:HEM1101 0.0 11.9 1.0 NB A:HEM1101 2.0 8.9 1.0 ND A:HEM1101 2.0 9.2 1.0 NC A:HEM1101 2.1 11.5 1.0 NA A:HEM1101 2.1 12.8 1.0 SG A:CYS400 2.3 11.6 1.0 C1D A:HEM1101 3.0 6.7 1.0 C4D A:HEM1101 3.0 11.8 1.0 C4C A:HEM1101 3.0 10.9 1.0 C4A A:HEM1101 3.1 12.5 1.0 C1B A:HEM1101 3.1 14.1 1.0 C4B A:HEM1101 3.1 12.6 1.0 C1C A:HEM1101 3.1 10.7 1.0 C1A A:HEM1101 3.1 10.7 1.0 CHD A:HEM1101 3.4 10.0 1.0 CB A:CYS400 3.4 11.0 1.0 CHB A:HEM1101 3.4 10.9 1.0 CHC A:HEM1101 3.4 9.9 1.0 CHA A:HEM1101 3.5 10.5 1.0 CA A:CYS400 4.0 11.5 1.0 C1 A:1C61102 4.1 41.3 1.0 C2D A:HEM1101 4.2 7.5 1.0 C3D A:HEM1101 4.3 11.3 1.0 C3B A:HEM1101 4.3 7.3 1.0 C3C A:HEM1101 4.3 12.5 1.0 C2C A:HEM1101 4.3 13.5 1.0 C2B A:HEM1101 4.3 8.1 1.0 C3A A:HEM1101 4.3 12.4 1.0 C2A A:HEM1101 4.4 11.9 1.0 C A:CYS400 4.8 12.5 1.0 N A:GLY402 4.8 12.2 1.0 O A:ALA264 4.8 14.1 1.0 N A:ILE401 4.9 12.3 1.0 CE2 A:PHE87 5.0 18.1 0.2 CB A:ALA264 5.0 13.8 1.0

Iron binding site 2 out of 2 in the CYP102A1 in Open Conformation


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of CYP102A1 in Open Conformation within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1101 b:11.9 occ:1.00 FE B:HEM1101 0.0 11.9 1.0 NB B:HEM1101 2.0 8.9 1.0 ND B:HEM1101 2.0 9.2 1.0 NC B:HEM1101 2.1 11.5 1.0 NA B:HEM1101 2.1 12.8 1.0 SG B:CYS400 2.3 11.6 1.0 C1D B:HEM1101 3.0 6.7 1.0 C4D B:HEM1101 3.0 11.8 1.0 C4C B:HEM1101 3.0 10.9 1.0 C4A B:HEM1101 3.1 12.5 1.0 C4B B:HEM1101 3.1 12.6 1.0 C1B B:HEM1101 3.1 14.1 1.0 C1C B:HEM1101 3.1 10.7 1.0 C1A B:HEM1101 3.1 10.7 1.0 CB B:CYS400 3.3 11.0 1.0 CHD B:HEM1101 3.4 10.0 1.0 CHB B:HEM1101 3.4 10.9 1.0 CHC B:HEM1101 3.4 9.9 1.0 CHA B:HEM1101 3.5 10.5 1.0 CA B:CYS400 3.9 11.5 1.0 C1 B:1C61102 4.1 41.3 1.0 C2D B:HEM1101 4.2 7.5 1.0 C3D B:HEM1101 4.3 11.3 1.0 C3B B:HEM1101 4.3 7.3 1.0 C3C B:HEM1101 4.3 12.5 1.0 C2C B:HEM1101 4.3 13.5 1.0 C2B B:HEM1101 4.3 8.1 1.0 C3A B:HEM1101 4.3 12.4 1.0 C2A B:HEM1101 4.4 11.9 1.0 C B:CYS400 4.8 12.5 1.0 N B:GLY402 4.8 12.2 1.0 O B:ALA264 4.9 14.1 1.0 N B:ILE401 4.9 12.3 1.0 CE2 B:PHE87 5.0 18.1 0.2 CB B:ALA264 5.0 13.8 1.0

M.Su, H.Xu. Insight Into the Conformational Dynamics of Cytochrome P450 CYP102A1 Enzyme Using Cryo-Em To Be Published.