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Magnesium in PDB 3ben: Structure of N-(12-Imidazolyl-Dodecanoyl)-L-Leucine Inhibitor Bound to the Heme Domain of Cytochrome P450-BM3

Enzymatic activity of Structure of N-(12-Imidazolyl-Dodecanoyl)-L-Leucine Inhibitor Bound to the Heme Domain of Cytochrome P450-BM3

All present enzymatic activity of Structure of N-(12-Imidazolyl-Dodecanoyl)-L-Leucine Inhibitor Bound to the Heme Domain of Cytochrome P450-BM3:
1.14.14.1;

Protein crystallography data

The structure of Structure of N-(12-Imidazolyl-Dodecanoyl)-L-Leucine Inhibitor Bound to the Heme Domain of Cytochrome P450-BM3, PDB code: 3ben was solved by D.R.Tomchick, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 1.65
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 58.820, 148.209, 63.792, 90.00, 98.32, 90.00
R / Rfree (%) 16.1 / 19.1

Other elements in 3ben:

The structure of Structure of N-(12-Imidazolyl-Dodecanoyl)-L-Leucine Inhibitor Bound to the Heme Domain of Cytochrome P450-BM3 also contains other interesting chemical elements:

Iron (Fe) 4 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Structure of N-(12-Imidazolyl-Dodecanoyl)-L-Leucine Inhibitor Bound to the Heme Domain of Cytochrome P450-BM3 (pdb code 3ben). 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 Structure of N-(12-Imidazolyl-Dodecanoyl)-L-Leucine Inhibitor Bound to the Heme Domain of Cytochrome P450-BM3, PDB code: 3ben:

Magnesium binding site 1 out of 1 in 3ben

Go back to Magnesium Binding Sites List in 3ben
Magnesium binding site 1 out of 1 in the Structure of N-(12-Imidazolyl-Dodecanoyl)-L-Leucine Inhibitor Bound to the Heme Domain of Cytochrome P450-BM3


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of N-(12-Imidazolyl-Dodecanoyl)-L-Leucine Inhibitor Bound to the Heme Domain of Cytochrome P450-BM3 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg470

b:38.7
occ:1.00
 O B:HOH502 1.7 39.7 1.0
O B:HOH503 1.9 41.4 1.0
OD2 B:ASP23 2.1 24.6 1.0
O B:HOH504 2.1 43.6 1.0
O B:HOH505 2.2 45.1 1.0
O B:HOH501 2.2 35.9 1.0
CG B:ASP23 3.1 24.7 1.0
OD1 B:ASP23 3.5 25.7 1.0
CB B:ASP23 4.4 20.2 1.0

Reference:

D.C.Haines, B.Chen, D.R.Tomchick, M.Bondlela, A.Hegde, M.Machius, J.A.Peterson. Crystal Structure of Inhibitor-Bound P450BM-3 Reveals Open Conformation of Substrate Access Channel. Biochemistry V. 47 3662 2008.
ISSN: ISSN 0006-2960
PubMed: 18298086
DOI: 10.1021/BI7023964
Page generated: Sun Aug 10 17:48:49 2025

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