Iron in PDB 6ldl: Crystal Structure of CYP116B46-N(20-445) From Tepidiphilus Thermophilus in Complex with Heme

The structure of Crystal Structure of CYP116B46-N(20-445) From Tepidiphilus Thermophilus in Complex with Heme, PDB code: 6ldl was solved by L.L.Zhang, Z.Z.Xie, J.W.Huang, W.D.Liu, C.C.Chen, R.T.Guo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.52 / 1.38
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	53.471, 75.511, 105.148, 90.00, 90.00, 90.00
R / Rfree (%)	14.9 / 17.3

The binding sites of Iron atom in the Crystal Structure of CYP116B46-N(20-445) From Tepidiphilus Thermophilus in Complex with Heme (pdb code 6ldl). 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 CYP116B46-N(20-445) From Tepidiphilus Thermophilus in Complex with Heme, PDB code: 6ldl:

Iron binding site 1 out of 1 in the Crystal Structure of CYP116B46-N(20-445) From Tepidiphilus Thermophilus in Complex with Heme


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 CYP116B46-N(20-445) From Tepidiphilus Thermophilus in Complex with Heme within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:7.6 occ:1.00 FE A:HEM501 0.0 7.6 1.0 ND A:HEM501 2.0 7.8 1.0 NA A:HEM501 2.0 7.3 1.0 NC A:HEM501 2.0 8.3 1.0 NB A:HEM501 2.0 7.7 1.0 SG A:CYS385 2.3 8.1 1.0 C1D A:HEM501 3.0 8.0 1.0 C4D A:HEM501 3.0 7.9 1.0 C4A A:HEM501 3.0 7.2 1.0 C1B A:HEM501 3.0 7.4 1.0 C4B A:HEM501 3.0 7.2 1.0 C1C A:HEM501 3.1 7.6 1.0 C4C A:HEM501 3.1 8.0 1.0 C1A A:HEM501 3.1 7.3 1.0 CB A:CYS385 3.4 7.9 1.0 CHC A:HEM501 3.4 7.0 1.0 CHA A:HEM501 3.4 7.3 1.0 CHD A:HEM501 3.4 8.1 1.0 CHB A:HEM501 3.4 7.5 1.0 O A:ALA274 4.0 9.3 1.0 CA A:CYS385 4.1 7.1 1.0 C3D A:HEM501 4.2 7.7 1.0 O A:HOH1058 4.3 22.6 1.0 C2B A:HEM501 4.3 7.9 1.0 C2D A:HEM501 4.3 8.3 1.0 C3A A:HEM501 4.3 7.5 1.0 C2C A:HEM501 4.3 7.5 1.0 C3C A:HEM501 4.3 8.9 1.0 C2A A:HEM501 4.3 7.4 1.0 C3B A:HEM501 4.3 8.1 1.0 O A:HOH1068 4.3 24.6 1.0 CB A:ALA274 4.6 9.3 1.0 N A:GLY387 4.7 9.0 1.0 C A:CYS385 4.7 7.6 1.0 C A:ALA274 4.8 8.5 1.0 N A:LEU386 4.8 7.9 1.0

L.Zhang, Z.Xie, Z.Liu, S.Zhou, L.Ma, W.Liu, J.W.Huang, T.P.Ko, X.Li, Y.Hu, J.Min, X.Yu, R.T.Guo, C.C.Chen. Structural Insight Into the Electron Transfer Pathway of A Self-Sufficient P450 Monooxygenase. Nat Commun V. 11 2676 2020.
ISSN: ESSN 2041-1723
PubMed: 32472090
DOI: 10.1038/S41467-020-16500-5