Magnesium in PDB 7tnf: The Crystal Structure of F298V CYP199A4 Bound to 4-Phenylbenzoic Acid

Protein crystallography data

The structure of The Crystal Structure of F298V CYP199A4 Bound to 4-Phenylbenzoic Acid, PDB code: 7tnf was solved by M.Podgorski, S.G.Bell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.44 / 1.54
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 44.281, 51.296, 78.926, 90, 92.08, 90
R / Rfree (%) 14.9 / 17.1

Other elements in 7tnf:

The structure of The Crystal Structure of F298V CYP199A4 Bound to 4-Phenylbenzoic Acid also contains other interesting chemical elements:

Iron (Fe) 1 atom
Chlorine (Cl) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the The Crystal Structure of F298V CYP199A4 Bound to 4-Phenylbenzoic Acid (pdb code 7tnf). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the The Crystal Structure of F298V CYP199A4 Bound to 4-Phenylbenzoic Acid, PDB code: 7tnf:

Magnesium binding site 1 out of 1 in 7tnf

Go back to Magnesium Binding Sites List in 7tnf
Magnesium binding site 1 out of 1 in the The Crystal Structure of F298V CYP199A4 Bound to 4-Phenylbenzoic Acid


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The Crystal Structure of F298V CYP199A4 Bound to 4-Phenylbenzoic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg504

b:30.0
occ:1.00
O A:HOH621 2.2 34.9 1.0
O A:HOH673 4.0 30.3 1.0
O A:ALA44 4.3 21.1 1.0
CA A:ALA44 4.6 17.7 1.0
C A:ALA44 5.0 20.1 1.0

Reference:

T.Coleman, J.Z.H.Lee, A.M.Kirk, D.Z.Doherty, M.N.Podgorski, D.K.Pinidiya, J.B.Bruning, J.J.De Voss, E.H.Krenske, S.G.Bell. Enabling Aromatic Hydroxylation in A Cytochrome P450 Monooxygenase Enzyme Through Protein Engineering. Chemistry V. 28 01895 2022.
ISSN: ISSN 0947-6539
PubMed: 36043399
DOI: 10.1002/CHEM.202201895
Page generated: Thu Oct 3 09:22:09 2024

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