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

Protein crystallography data

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

Iron Binding Sites:

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 6cun

Go back to Iron Binding Sites List in 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

Reference:

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
Page generated: Tue Aug 6 15:14:56 2024

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