Iron in PDB 6l3a: Cytochrome P450 107G1 (Rapn) with Everolimus

The structure of Cytochrome P450 107G1 (Rapn) with Everolimus, PDB code: 6l3a was solved by V.C.Km, D.H.Kim, Y.R.Lim, I.H.Lee, J.H.Lee, L.W.Kang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.49 / 3.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	63.028, 126.142, 70.099, 90.00, 116.46, 90.00
R / Rfree (%)	24.1 / 33.6

The binding sites of Iron atom in the Cytochrome P450 107G1 (Rapn) with Everolimus (pdb code 6l3a). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Cytochrome P450 107G1 (Rapn) with Everolimus, PDB code: 6l3a:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Cytochrome P450 107G1 (Rapn) with Everolimus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Cytochrome P450 107G1 (Rapn) with Everolimus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:56.0 occ:1.00 FE A:HEM501 0.0 56.0 1.0 ND A:HEM501 1.9 60.4 1.0 NA A:HEM501 2.0 58.3 1.0 NC A:HEM501 2.1 53.2 1.0 NB A:HEM501 2.1 62.8 1.0 SG A:CYS353 2.7 55.1 1.0 C4D A:HEM501 2.8 60.8 1.0 C1D A:HEM501 2.9 62.0 1.0 C1A A:HEM501 2.9 61.4 1.0 C4C A:HEM501 3.0 54.8 1.0 C4A A:HEM501 3.1 63.3 1.0 C4B A:HEM501 3.1 66.9 1.0 C1C A:HEM501 3.1 61.3 1.0 C1B A:HEM501 3.1 70.5 1.0 CHA A:HEM501 3.3 62.5 1.0 CHD A:HEM501 3.3 59.5 1.0 CHC A:HEM501 3.4 68.1 1.0 CHB A:HEM501 3.5 68.9 1.0 CB A:CYS353 3.6 60.3 1.0 C3D A:HEM501 4.1 62.1 1.0 C2D A:HEM501 4.1 63.0 1.0 C2A A:HEM501 4.2 66.0 1.0 C3A A:HEM501 4.2 62.6 1.0 CA A:CYS353 4.2 62.3 1.0 C3C A:HEM501 4.3 59.0 1.0 C2C A:HEM501 4.3 62.9 1.0 C2B A:HEM501 4.3 76.9 1.0 C3B A:HEM501 4.4 80.7 1.0 CB A:ALA241 4.7 62.9 1.0 N A:GLY355 4.9 75.2 1.0 C A:CYS353 5.0 63.4 1.0

Iron binding site 2 out of 2 in the Cytochrome P450 107G1 (Rapn) with Everolimus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Cytochrome P450 107G1 (Rapn) with Everolimus within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:56.9 occ:1.00 FE B:HEM501 0.0 56.9 1.0 ND B:HEM501 1.9 61.2 1.0 NA B:HEM501 2.0 64.3 1.0 NC B:HEM501 2.1 50.4 1.0 NB B:HEM501 2.1 59.6 1.0 SG B:CYS353 2.6 55.7 1.0 C1D B:HEM501 2.9 60.7 1.0 C4D B:HEM501 2.9 61.8 1.0 C1A B:HEM501 3.0 63.9 1.0 C4C B:HEM501 3.0 51.9 1.0 C1B B:HEM501 3.0 74.3 1.0 C4B B:HEM501 3.0 61.9 1.0 C4A B:HEM501 3.1 67.8 1.0 C1C B:HEM501 3.1 53.0 1.0 CHD B:HEM501 3.4 55.0 1.0 CHA B:HEM501 3.4 63.5 1.0 CHC B:HEM501 3.5 63.9 1.0 CHB B:HEM501 3.5 73.3 1.0 CB B:CYS353 3.5 62.3 1.0 C45 B:E53502 3.6 84.2 1.0 O12 B:E53502 3.7 94.2 1.0 CA B:CYS353 3.8 63.3 1.0 C2D B:HEM501 4.2 59.6 1.0 C3D B:HEM501 4.2 61.6 1.0 C2A B:HEM501 4.2 70.4 1.0 C3A B:HEM501 4.2 62.2 1.0 C3C B:HEM501 4.2 50.7 1.0 C2C B:HEM501 4.3 52.9 1.0 C2B B:HEM501 4.3 73.7 1.0 O13 B:E53502 4.3 0.6 1.0 C3B B:HEM501 4.3 65.2 1.0 N B:MET354 4.4 64.6 1.0 C B:CYS353 4.5 63.1 1.0 CB B:ALA241 4.7 57.4 1.0 O B:ALA241 4.8 67.3 1.0 N B:GLY355 4.8 69.7 1.0

V.Kim, Y.R.Lim, I.Lee, J.H.Lee, S.Han, T.V.Pham, H.Kim, R.Lee, L.W.Kang, D.Kim. Structural Insights Into CYP107G1 From Rapamycin-Producing Streptomyces Rapamycinicus. Arch.Biochem.Biophys. V. 692 08544 2020.
ISSN: ESSN 1096-0384
PubMed: 32822639
DOI: 10.1016/J.ABB.2020.108544