Iron in PDB 6cun: Engineered Cytochrome C From Rhodothermus Marinus (Rma Tde) Bound to Carbene Intermediate (1-Ethoxy-1-Oxopropan-2-Ylidene)

The structure of Engineered Cytochrome C From Rhodothermus Marinus (Rma Tde) Bound to Carbene Intermediate (1-Ethoxy-1-Oxopropan-2-Ylidene), PDB code: 6cun was solved by R.D.Lewis, A.R.Buller, F.H.Arnold, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.62 / 1.29
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	60.343, 60.343, 77.232, 90.00, 90.00, 120.00
R / Rfree (%)	18.1 / 20.2

The binding sites of Iron atom in the Engineered Cytochrome C From Rhodothermus Marinus (Rma Tde) Bound to Carbene Intermediate (1-Ethoxy-1-Oxopropan-2-Ylidene) (pdb code 6cun). 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 Engineered Cytochrome C From Rhodothermus Marinus (Rma Tde) Bound to Carbene Intermediate (1-Ethoxy-1-Oxopropan-2-Ylidene), PDB code: 6cun:

Iron binding site 1 out of 1 in the Engineered Cytochrome C From Rhodothermus Marinus (Rma Tde) Bound to Carbene Intermediate (1-Ethoxy-1-Oxopropan-2-Ylidene)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Engineered Cytochrome C From Rhodothermus Marinus (Rma Tde) Bound to Carbene Intermediate (1-Ethoxy-1-Oxopropan-2-Ylidene) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:14.7 occ:1.00 FE A:HEM201 0.0 14.7 1.0 CX6 A:CA1202 1.9 21.4 1.0 NB A:HEM201 2.0 13.9 1.0 ND A:HEM201 2.0 15.9 1.0 NC A:HEM201 2.0 16.2 1.0 NA A:HEM201 2.0 14.9 1.0 NE2 A:HIS49 2.1 15.4 1.0 CX7 A:CA1202 2.9 25.1 1.0 C1B A:HEM201 3.0 13.1 1.0 C4A A:HEM201 3.0 14.0 1.0 C4D A:HEM201 3.0 16.4 1.0 CE1 A:HIS49 3.0 14.8 1.0 C1C A:HEM201 3.0 15.0 1.0 C4B A:HEM201 3.0 14.1 1.0 C1D A:HEM201 3.0 17.0 1.0 C4C A:HEM201 3.0 16.6 1.0 C1A A:HEM201 3.1 15.2 1.0 CD2 A:HIS49 3.1 14.4 1.0 CX5 A:CA1202 3.1 21.8 1.0 CHB A:HEM201 3.4 13.0 1.0 CHC A:HEM201 3.4 15.3 1.0 CHD A:HEM201 3.4 17.1 1.0 CHA A:HEM201 3.4 16.0 1.0 OX8 A:CA1202 3.6 28.6 1.0 OX9 A:CA1202 3.6 27.9 1.0 ND1 A:HIS49 4.2 14.2 1.0 CG A:HIS49 4.2 14.5 1.0 C2B A:HEM201 4.2 13.4 1.0 C2D A:HEM201 4.2 18.1 1.0 C3A A:HEM201 4.2 13.9 1.0 C3D A:HEM201 4.2 17.6 1.0 C3B A:HEM201 4.2 13.9 1.0 C3C A:HEM201 4.3 17.2 1.0 C2C A:HEM201 4.3 15.8 1.0 C2A A:HEM201 4.3 14.3 1.0 CJ1 A:CA1202 4.9 28.7 1.0

R.D.Lewis, M.Garcia-Borras, M.J.Chalkley, A.R.Buller, K.N.Houk, S.B.J.Kan, F.H.Arnold. Catalytic Iron-Carbene Intermediate Revealed in A Cytochromeccarbene Transferase. Proc. Natl. Acad. Sci. V. 115 7308 2018U.S.A..
ISSN: ESSN 1091-6490
PubMed: 29946033
DOI: 10.1073/PNAS.1807027115