Iron in PDB 5g5j: Crystal Structure of Human CYP3A4 Bound to Metformin

All present enzymatic activity of Crystal Structure of Human CYP3A4 Bound to Metformin:
1.14.13.157; 1.14.13.32; 1.14.13.67; 1.14.14.1;

The structure of Crystal Structure of Human CYP3A4 Bound to Metformin, PDB code: 5g5j was solved by I.Sevrioukova, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.40 / 2.60
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	77.000, 101.070, 128.370, 90.00, 90.00, 90.00
R / Rfree (%)	20.2 / 27.9

The binding sites of Iron atom in the Crystal Structure of Human CYP3A4 Bound to Metformin (pdb code 5g5j). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the Crystal Structure of Human CYP3A4 Bound to Metformin, PDB code: 5g5j:

Iron binding site 1 out of 1 in the Crystal Structure of Human CYP3A4 Bound to Metformin


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 Human CYP3A4 Bound to Metformin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe700 b:42.1 occ:1.00 FE A:HEM700 0.0 42.1 1.0 ND A:HEM700 1.9 40.4 1.0 NA A:HEM700 2.0 38.7 1.0 NC A:HEM700 2.1 36.3 1.0 NB A:HEM700 2.1 39.4 1.0 SG A:CYS442 2.3 42.4 1.0 C1D A:HEM700 2.9 38.1 1.0 C4D A:HEM700 3.0 38.8 1.0 C1A A:HEM700 3.0 41.8 1.0 C4A A:HEM700 3.0 43.6 1.0 C4C A:HEM700 3.1 40.0 1.0 C1B A:HEM700 3.1 41.6 1.0 C4B A:HEM700 3.1 42.1 1.0 C1C A:HEM700 3.1 39.2 1.0 CHD A:HEM700 3.4 38.4 1.0 CHA A:HEM700 3.4 40.4 1.0 CHB A:HEM700 3.5 42.3 1.0 CHC A:HEM700 3.5 40.6 1.0 CB A:CYS442 3.5 42.3 1.0 C01 A:MF8600 4.1 0.4 1.0 CA A:CYS442 4.2 45.5 1.0 C2D A:HEM700 4.2 41.4 1.0 C3A A:HEM700 4.2 42.7 1.0 C2A A:HEM700 4.2 42.2 1.0 C3D A:HEM700 4.2 39.1 1.0 C2C A:HEM700 4.3 38.4 1.0 C3C A:HEM700 4.3 39.1 1.0 C2B A:HEM700 4.3 43.6 1.0 C3B A:HEM700 4.3 42.2 1.0 O A:ALA305 4.6 47.2 1.0 CB A:ALA305 4.7 45.8 1.0 C A:CYS442 5.0 47.4 1.0

Z.Guo, I.F.Sevrioukova, I.G.Denisov, X.Zhang, T.L.Chiu, D.G.Thomas, E.A.Hanse, R.A.D.Cuellar, Y.V.Grinkova, V.W.Langenfeld, D.S.Swedien, J.D.Stamschror, J.Alvarez, F.Luna, A.Galvan, Y.K.Bae, J.D.Wulfkuhle, R.I.Gallagher, E.F.Petricoin, B.Norris, C.M.Flory, R.J.Schumacher, M.G.O'sullivan, Q.Cao, H.Chu, J.D.Lipscomb, W.M.Atkins, K.Gupta, A.Kelekar, I.A.Blair, J.H.Capdevila, J.R.Falck, S.G.Sligar, T.L.Poulos, G.I.Georg, E.Ambrose, D.A.Potter. Heme Binding Biguanides Target Cytochrome P450-Dependent Cancer Cell Mitochondria. Cell Chem Biol V. 24 1259 2017.
ISSN: ESSN 2451-9456
PubMed: 28919040
DOI: 10.1016/J.CHEMBIOL.2017.08.009