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Magnesium in PDB 4hai: Crystal Structure of Human Soluble Epoxide Hydrolase Complexed with N- Cycloheptyl-1-(Mesitylsulfonyl)Piperidine-4-Carboxamide.

Enzymatic activity of Crystal Structure of Human Soluble Epoxide Hydrolase Complexed with N- Cycloheptyl-1-(Mesitylsulfonyl)Piperidine-4-Carboxamide.

All present enzymatic activity of Crystal Structure of Human Soluble Epoxide Hydrolase Complexed with N- Cycloheptyl-1-(Mesitylsulfonyl)Piperidine-4-Carboxamide.:
3.1.3.76; 3.3.2.10;

Protein crystallography data

The structure of Crystal Structure of Human Soluble Epoxide Hydrolase Complexed with N- Cycloheptyl-1-(Mesitylsulfonyl)Piperidine-4-Carboxamide., PDB code: 4hai was solved by S.Pecic, S.Pakhomova, M.E.Newcomer, C.Morisseau, B.D.Hammock, Z.Zhu, S.Deng, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 79.95 / 2.55
Space group P 65 2 2
Cell size a, b, c (Å), α, β, γ (°) 92.320, 92.320, 243.982, 90.00, 90.00, 120.00
R / Rfree (%) 18 / 23.6

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Human Soluble Epoxide Hydrolase Complexed with N- Cycloheptyl-1-(Mesitylsulfonyl)Piperidine-4-Carboxamide. (pdb code 4hai). 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 Crystal Structure of Human Soluble Epoxide Hydrolase Complexed with N- Cycloheptyl-1-(Mesitylsulfonyl)Piperidine-4-Carboxamide., PDB code: 4hai:

Magnesium binding site 1 out of 1 in 4hai

Go back to Magnesium Binding Sites List in 4hai
Magnesium binding site 1 out of 1 in the Crystal Structure of Human Soluble Epoxide Hydrolase Complexed with N- Cycloheptyl-1-(Mesitylsulfonyl)Piperidine-4-Carboxamide.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Human Soluble Epoxide Hydrolase Complexed with N- Cycloheptyl-1-(Mesitylsulfonyl)Piperidine-4-Carboxamide. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg602

b:43.0
occ:1.00
 O A:HOH718 1.9 46.7 1.0
OD2 A:ASP9 1.9 57.8 1.0
O A:HOH721 1.9 45.6 1.0
O4 A:PO4601 2.0 49.5 1.0
OD1 A:ASP185 2.0 62.6 1.0
O A:ASP11 2.2 60.2 1.0
CG A:ASP9 2.7 57.5 1.0
OD1 A:ASP9 2.8 56.4 1.0
CG A:ASP185 3.1 61.9 1.0
C A:ASP11 3.4 58.0 1.0
P A:PO4601 3.4 51.7 1.0
OD2 A:ASP185 3.5 63.1 1.0
OD1 A:ASP184 3.8 57.1 1.0
O3 A:PO4601 4.0 48.6 1.0
CB A:ASP11 4.0 61.1 1.0
O1 A:PO4601 4.0 53.8 1.0
CA A:ASP11 4.1 57.9 1.0
CB A:ASP9 4.2 57.4 1.0
N A:ASP11 4.3 56.7 1.0
OD1 A:ASP11 4.4 61.7 1.0
CB A:ASP185 4.4 56.9 1.0
N A:ASP185 4.4 56.2 1.0
N A:GLY12 4.4 55.6 1.0
CG A:ASP184 4.5 59.0 1.0
O2 A:PO4601 4.5 51.3 1.0
NZ A:LYS160 4.7 53.8 1.0
CA A:GLY12 4.7 56.5 1.0
OD2 A:ASP184 4.7 57.5 1.0
CG A:ASP11 4.7 60.8 1.0
CD1 A:ILE186 4.8 63.3 1.0
C A:LEU10 4.8 56.0 1.0
CA A:ASP185 4.9 58.9 1.0
N A:LEU10 4.9 56.1 1.0

Reference:

S.Pecic, S.Pakhomova, M.E.Newcomer, C.Morisseau, B.D.Hammock, Z.Zhu, A.Rinderspacher, S.X.Deng. Synthesis and Structure-Activity Relationship of Piperidine-Derived Non-Urea Soluble Epoxide Hydrolase Inhibitors. Bioorg.Med.Chem.Lett. V. 23 417 2013.
ISSN: ISSN 0960-894X
PubMed: 23237835
DOI: 10.1016/J.BMCL.2012.11.084
Page generated: Fri Aug 16 16:13:34 2024

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