Iron in PDB 9ixl: Crystal Structure of the CYP153A Double Mutant L354T/V456G From Marinobacter Aquaeolei

The structure of Crystal Structure of the CYP153A Double Mutant L354T/V456G From Marinobacter Aquaeolei, PDB code: 9ixl was solved by M.M.Qin, Y.P.Jiang, Z.Q.Cong, P.X.Zhao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	55.96 / 2.10
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	100.64, 102.02, 223.86, 90, 90, 90
R / Rfree (%)	19.6 / 21.9

The binding sites of Iron atom in the Crystal Structure of the CYP153A Double Mutant L354T/V456G From Marinobacter Aquaeolei (pdb code 9ixl). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of the CYP153A Double Mutant L354T/V456G From Marinobacter Aquaeolei, PDB code: 9ixl:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of the CYP153A Double Mutant L354T/V456G From Marinobacter Aquaeolei


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 the CYP153A Double Mutant L354T/V456G From Marinobacter Aquaeolei within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:38.7 occ:1.00 FE B:HEM501 0.0 38.7 1.0 ND B:HEM501 1.9 36.9 1.0 O B:HOH647 2.0 39.4 0.3 NA B:HEM501 2.0 37.6 1.0 NC B:HEM501 2.1 40.0 1.0 NB B:HEM501 2.1 38.1 1.0 SG B:CYS422 2.6 37.3 1.0 C4D B:HEM501 2.9 35.0 1.0 C1D B:HEM501 2.9 36.2 1.0 C1A B:HEM501 2.9 34.5 1.0 C4C B:HEM501 3.0 38.1 1.0 C4A B:HEM501 3.0 41.4 1.0 C1B B:HEM501 3.1 34.3 1.0 C4B B:HEM501 3.1 39.2 1.0 C1C B:HEM501 3.1 40.5 1.0 CHA B:HEM501 3.3 37.9 1.0 CHD B:HEM501 3.4 38.9 1.0 CB B:CYS422 3.4 32.8 1.0 CHB B:HEM501 3.5 38.9 1.0 CHC B:HEM501 3.5 46.5 1.0 CA B:CYS422 4.0 38.7 1.0 O B:GLY311 4.1 42.7 1.0 C3D B:HEM501 4.1 40.6 1.0 C2D B:HEM501 4.1 40.7 1.0 C2A B:HEM501 4.1 31.6 1.0 C3A B:HEM501 4.2 39.4 1.0 C3C B:HEM501 4.2 40.0 1.0 C2C B:HEM501 4.3 41.5 1.0 C2B B:HEM501 4.3 39.7 1.0 C3B B:HEM501 4.3 38.4 1.0 O2 B:DAO502 4.4 53.1 0.9 N B:MET423 4.6 40.1 1.0 C B:CYS422 4.6 42.7 1.0 C B:GLY311 4.7 44.4 1.0 N B:GLY424 4.7 36.7 1.0 C1 B:DAO502 4.8 54.0 0.9 CA B:GLY311 4.8 42.7 1.0

Iron binding site 2 out of 2 in the Crystal Structure of the CYP153A Double Mutant L354T/V456G From Marinobacter Aquaeolei


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 the CYP153A Double Mutant L354T/V456G From Marinobacter Aquaeolei within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:38.8 occ:1.00 FE A:HEM501 0.0 38.8 1.0 ND A:HEM501 1.9 35.8 1.0 NA A:HEM501 2.0 37.1 1.0 NC A:HEM501 2.1 37.5 1.0 NB A:HEM501 2.1 37.1 1.0 O A:HOH611 2.5 37.5 0.5 SG A:CYS422 2.7 40.9 1.0 C1D A:HEM501 2.9 35.1 1.0 C4D A:HEM501 2.9 35.1 1.0 C1A A:HEM501 3.0 38.1 1.0 C4C A:HEM501 3.0 36.1 1.0 C4A A:HEM501 3.0 35.1 1.0 C1B A:HEM501 3.1 37.3 1.0 C4B A:HEM501 3.1 40.6 1.0 C1C A:HEM501 3.1 36.8 1.0 CHA A:HEM501 3.3 36.8 1.0 CHD A:HEM501 3.4 34.6 1.0 CB A:CYS422 3.4 30.6 1.0 CHB A:HEM501 3.5 36.4 1.0 CHC A:HEM501 3.5 37.4 1.0 O2 A:DAO502 3.9 55.2 1.0 O A:GLY311 4.0 41.2 1.0 CA A:CYS422 4.1 36.8 1.0 C2D A:HEM501 4.1 36.5 1.0 C3D A:HEM501 4.2 40.2 1.0 C2A A:HEM501 4.2 38.6 1.0 C3A A:HEM501 4.2 40.3 1.0 C3C A:HEM501 4.3 39.8 1.0 C2C A:HEM501 4.3 40.6 1.0 C2B A:HEM501 4.4 37.4 1.0 C3B A:HEM501 4.4 37.4 1.0 C1 A:DAO502 4.7 52.4 1.0 C A:GLY311 4.7 41.2 1.0 C A:CYS422 4.7 42.6 1.0 N A:MET423 4.7 39.5 1.0 N A:GLY424 4.8 39.5 1.0 CA A:GLY311 4.8 43.5 1.0

M.M.Qin, Y.P.Jiang, Z.Q.Cong, P.X.Zhao. Structure of the CYP153A Double Mutant L354T/V456G From Marinobacter Aquaeolei at 2.10 Angstroms Resolution To Be Published.