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Magnesium in PDB 4neu: X-Ray Structure of Receptor Interacting Protein 1 (RIP1)Kinase Domain with A 1-Aminoisoquinoline Inhibitor

Enzymatic activity of X-Ray Structure of Receptor Interacting Protein 1 (RIP1)Kinase Domain with A 1-Aminoisoquinoline Inhibitor

All present enzymatic activity of X-Ray Structure of Receptor Interacting Protein 1 (RIP1)Kinase Domain with A 1-Aminoisoquinoline Inhibitor:
2.7.11.1;

Protein crystallography data

The structure of X-Ray Structure of Receptor Interacting Protein 1 (RIP1)Kinase Domain with A 1-Aminoisoquinoline Inhibitor, PDB code: 4neu was solved by R.T.Nolte, P.Ward, K.M.Kahler, N.Campobasso, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.94 / 2.57
Space group H 3 2
Cell size a, b, c (Å), α, β, γ (°) 149.249, 149.249, 187.670, 90.00, 90.00, 120.00
R / Rfree (%) 18.1 / 23.5

Magnesium Binding Sites:

The binding sites of Magnesium atom in the X-Ray Structure of Receptor Interacting Protein 1 (RIP1)Kinase Domain with A 1-Aminoisoquinoline Inhibitor (pdb code 4neu). 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 X-Ray Structure of Receptor Interacting Protein 1 (RIP1)Kinase Domain with A 1-Aminoisoquinoline Inhibitor, PDB code: 4neu:

Magnesium binding site 1 out of 1 in 4neu

Go back to Magnesium Binding Sites List in 4neu
Magnesium binding site 1 out of 1 in the X-Ray Structure of Receptor Interacting Protein 1 (RIP1)Kinase Domain with A 1-Aminoisoquinoline Inhibitor


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of X-Ray Structure of Receptor Interacting Protein 1 (RIP1)Kinase Domain with A 1-Aminoisoquinoline Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg401

b:46.2
occ:0.50
 O A:PHE17 2.0 54.2 1.0
O A:SER14 2.4 64.0 1.0
C A:PHE17 3.2 51.9 1.0
C A:SER14 3.6 65.2 1.0
CA A:LEU18 3.7 51.9 1.0
N A:LEU18 3.9 51.0 1.0
CB A:LEU18 4.3 52.3 1.0
CA A:SER14 4.3 66.9 1.0
CA A:PHE17 4.4 51.8 1.0
N A:PHE17 4.4 53.8 1.0
CD2 A:PHE17 4.6 48.6 1.0
CB A:SER14 4.6 70.0 1.0
N A:SER15 4.6 65.1 1.0
CG A:PHE17 4.7 50.0 1.0
CE2 A:PHE17 4.8 48.8 1.0
CA A:SER15 4.8 65.0 1.0
C A:LEU18 4.9 50.5 1.0
CD1 A:PHE17 5.0 51.3 1.0

Reference:

P.A.Harris, D.Bandyopadhyay, S.B.Berger, N.Campobasso, C.A.Capriotti, J.A.Cox, L.Dare, J.N.Finger, S.J.Hoffman, K.M.Kahler, R.Lehr, J.D.Lich, R.Nagilla, R.T.Nolte, M.T.Ouellette, C.S.Pao, M.C.Schaeffer, A.Smallwood, H.H.Sun, B.A.Swift, R.D.Totoritis, P.Ward, R.W.Marquis, J.Bertin, P.J.Gough. Discovery of Small Molecule RIP1 Kinase Inhibitors For the Treatment of Pathologies Associated with Necroptosis. Acs Med Chem Lett V. 4 1238 2013.
PubMed: 24900635
DOI: 10.1021/ML400382P
Page generated: Mon Dec 14 19:14:14 2020

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