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Magnesium in PDB 1z6j: Crystal Structure of A Ternary Complex of Factor Viia/Tissue Factor/Pyrazinone Inhibitor

Enzymatic activity of Crystal Structure of A Ternary Complex of Factor Viia/Tissue Factor/Pyrazinone Inhibitor

All present enzymatic activity of Crystal Structure of A Ternary Complex of Factor Viia/Tissue Factor/Pyrazinone Inhibitor:
3.4.21.21;

Protein crystallography data

The structure of Crystal Structure of A Ternary Complex of Factor Viia/Tissue Factor/Pyrazinone Inhibitor, PDB code: 1z6j was solved by B.A.Schweitzer, W.L.Neumann, H.K.Rahman, C.L.Kusturin, K.R.Sample, G.I.Poda, R.G.Kurumbail, A.M.Stevens, R.A.Stegeman, W.C.Stallings, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 69.652, 81.137, 125.577, 90.00, 90.00, 90.00
R / Rfree (%) 20.9 / 25.8

Other elements in 1z6j:

The structure of Crystal Structure of A Ternary Complex of Factor Viia/Tissue Factor/Pyrazinone Inhibitor also contains other interesting chemical elements:

Calcium (Ca) 2 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of A Ternary Complex of Factor Viia/Tissue Factor/Pyrazinone Inhibitor (pdb code 1z6j). 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 A Ternary Complex of Factor Viia/Tissue Factor/Pyrazinone Inhibitor, PDB code: 1z6j:

Magnesium binding site 1 out of 1 in 1z6j

Go back to Magnesium Binding Sites List in 1z6j
Magnesium binding site 1 out of 1 in the Crystal Structure of A Ternary Complex of Factor Viia/Tissue Factor/Pyrazinone Inhibitor


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 A Ternary Complex of Factor Viia/Tissue Factor/Pyrazinone Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Mg402

b:59.4
occ:1.00
 OE12 L:CGU14 2.3 59.3 1.0
OE21 L:CGU19 2.5 66.9 1.0
OE21 L:CGU14 2.7 59.4 1.0
OE12 L:CGU19 2.9 68.9 1.0
CD2 L:CGU19 3.3 67.5 1.0
CD1 L:CGU14 3.5 59.2 1.0
CD2 L:CGU14 3.6 59.9 1.0
CD1 L:CGU19 3.8 68.3 1.0
CG L:CGU19 3.9 67.7 1.0
OE22 L:CGU19 4.2 67.7 1.0
CG L:CGU14 4.2 59.7 1.0
OE11 L:CGU14 4.4 58.6 1.0
OE22 L:CGU14 4.5 59.4 1.0
OE11 L:CGU19 4.9 69.1 1.0

Reference:

B.A.Schweitzer, W.L.Neumann, H.K.Rahman, C.L.Kusturin, K.R.Sample, G.I.Poda, R.G.Kurumbail, A.M.Stevens, R.A.Stegeman, W.C.Stallings, M.S.South. Structure-Based Design and Synthesis of Pyrazinones Containing Novel P1 'Side Pocket' Moieties As Inhibitors of Tf/Viia. Bioorg.Med.Chem.Lett. V. 15 3006 2005.
ISSN: ISSN 0960-894X
PubMed: 15913999
DOI: 10.1016/J.BMCL.2005.04.037
Page generated: Tue Aug 13 20:04:13 2024

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