Iron in PDB 4l36: Crystal Structure of the Cytochrome P450 Enzyme Txte

The structure of Crystal Structure of the Cytochrome P450 Enzyme Txte, PDB code: 4l36 was solved by F.Yu, M.J.Li, C.Y.Xu, Z.J.Wang, H.Zhou, M.Yang, Y.X.Chen, L.Tang, J.H.He, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.72 / 2.10
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	46.316, 52.595, 88.245, 77.76, 82.17, 68.36
R / Rfree (%)	19.6 / 23.4

The binding sites of Iron atom in the Crystal Structure of the Cytochrome P450 Enzyme Txte (pdb code 4l36). 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 Cytochrome P450 Enzyme Txte, PDB code: 4l36:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of the Cytochrome P450 Enzyme Txte


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 Cytochrome P450 Enzyme Txte within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:19.1 occ:1.00 FE A:HEB501 0.0 19.1 1.0 NB A:HEB501 2.1 20.9 1.0 ND A:HEB501 2.1 19.8 1.0 NA A:HEB501 2.1 18.2 1.0 NC A:HEB501 2.1 21.2 1.0 SG A:CYS357 2.6 23.8 1.0 N1 A:IMD502 2.7 27.9 1.0 C1B A:HEB501 3.1 19.6 1.0 C4B A:HEB501 3.1 15.8 1.0 C4D A:HEB501 3.1 20.2 1.0 C4A A:HEB501 3.1 20.7 1.0 C1A A:HEB501 3.1 22.0 1.0 C1D A:HEB501 3.1 19.4 1.0 C4C A:HEB501 3.1 18.0 1.0 C1C A:HEB501 3.1 18.5 1.0 C5 A:IMD502 3.3 32.0 1.0 CHC A:HEB501 3.5 19.5 1.0 CHA A:HEB501 3.5 19.5 1.0 CHB A:HEB501 3.5 21.8 1.0 CB A:CYS357 3.5 22.4 1.0 CHD A:HEB501 3.5 19.8 1.0 C2 A:IMD502 3.9 35.6 1.0 CA A:CYS357 4.1 21.1 1.0 O A:HOH738 4.3 34.1 1.0 C2B A:HEB501 4.4 20.9 1.0 C3C A:HEB501 4.4 17.4 1.0 C3B A:HEB501 4.4 22.6 1.0 C3D A:HEB501 4.4 20.4 1.0 C3A A:HEB501 4.4 21.6 1.0 C2A A:HEB501 4.4 21.6 1.0 C2D A:HEB501 4.4 16.7 1.0 C2C A:HEB501 4.5 22.5 1.0 C4 A:IMD502 4.6 34.6 1.0 N A:LEU358 4.8 22.2 1.0 C A:CYS357 4.8 16.5 1.0 N3 A:IMD502 4.9 41.6 1.0

Iron binding site 2 out of 2 in the Crystal Structure of the Cytochrome P450 Enzyme Txte


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 Cytochrome P450 Enzyme Txte within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:21.1 occ:1.00 FE B:HEB501 0.0 21.1 1.0 ND B:HEB501 2.1 24.4 1.0 NB B:HEB501 2.1 20.9 1.0 NA B:HEB501 2.1 20.3 1.0 NC B:HEB501 2.1 20.2 1.0 SG B:CYS357 2.6 20.6 1.0 N1 B:IMD502 2.7 35.0 1.0 C4C B:HEB501 3.1 21.3 1.0 C4D B:HEB501 3.1 19.3 1.0 C1A B:HEB501 3.1 19.1 1.0 C1D B:HEB501 3.1 20.5 1.0 C1B B:HEB501 3.1 19.4 1.0 C4B B:HEB501 3.1 21.8 1.0 C4A B:HEB501 3.1 21.1 1.0 C1C B:HEB501 3.1 20.2 1.0 C2 B:IMD502 3.3 34.6 1.0 CHC B:HEB501 3.5 17.4 1.0 CHA B:HEB501 3.5 13.5 1.0 CHD B:HEB501 3.5 20.2 1.0 CHB B:HEB501 3.5 23.0 1.0 CB B:CYS357 3.5 19.8 1.0 C5 B:IMD502 3.6 30.1 1.0 CA B:CYS357 4.1 20.6 1.0 N3 B:IMD502 4.4 37.9 1.0 C3C B:HEB501 4.4 25.2 1.0 C3D B:HEB501 4.4 21.0 1.0 C2D B:HEB501 4.4 18.8 1.0 C2A B:HEB501 4.4 19.0 1.0 C3B B:HEB501 4.4 23.4 1.0 C2B B:HEB501 4.4 20.5 1.0 C3A B:HEB501 4.4 20.3 1.0 C2C B:HEB501 4.5 19.2 1.0 C4 B:IMD502 4.6 37.3 1.0 N B:LEU358 4.8 19.2 1.0 C B:CYS357 4.8 18.4 1.0

F.Yu, M.J.Li, C.Y.Xu, Z.J.Wang, H.Zhou, M.Yang, Y.X.Chen, L.Tang, J.H.He. Structural Insights Into the Mechanism For Recognizing Substrate of the Cytochrome P450 Enzyme Txte. Plos One V. 8 81526 2013.
ISSN: ESSN 1932-6203
PubMed: 24282603
DOI: 10.1371/JOURNAL.PONE.0081526