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Magnesium in the structure of 2-Keto-3-Deoxy-D-Arabinonate Dehydratase Complexed With Magnesium and 2-Oxobutyrate (pdb 2q1a)

The binding sites of Magnesium atom in the structure of 2-Keto-3-Deoxy-D-Arabinonate Dehydratase Complexed With Magnesium and 2-Oxobutyrate (pdb code 2q1a). This binding sites where shown with 5.0 Angstroms radius around Magnesium atom.
The 2q1a structure was solved by T.BARENDS, S.BROUNS, P.WORM, J.AKERBOOM, A.TURNBULL, L.SALMON, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
Resolution (A)19.7-2.5
Space groupI4122
a (A)128.830
b (A)128.830
c (A)224.400
alpha (°)90.00
beta (°)90.00
gamma (°)90.00
Rfactor (%)23.4
Rfree (%)25.6

Magnesium Binding Sites:

Magnesium binding site 1 out of 1 in 2q1a

Magnesium binding site 1 out of 1 in 2q1a
Click to enlarge
stereopicture of Magnesium binding site 1 out of 1 in 2q1a
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Magnesium in the PDB 2q1a. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Magnesium atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: X: Ser79, X: Arg89, X: Phe116, X: Glu143, X: Glu145, X: Asp164, X: Ser166, X: Lys182, X: Gly255, X: Thr256, X: 2kt295, X: Hoh326,

conact list:

AtomAtomDistance (A)
MgO X:Ser794.38
MgNH1 X:Arg894.80
MgCE2 X:Phe1165.00
MgCZ X:Phe1164.49
MgOE1 X:Glu1434.11
MgCB X:Glu1434.04
MgOE2 X:Glu1432.06
MgCD X:Glu1433.30
MgCG X:Glu1434.26
MgOE1 X:Glu1452.05
MgOE2 X:Glu1453.69
MgCD X:Glu1453.19
MgCG X:Glu1454.43
MgO X:Asp1644.79
MgCB X:Asp1643.46
MgOD2 X:Asp1642.05
MgOD1 X:Asp1644.19
MgCG X:Asp1643.08
MgCA X:Asp1644.91
MgOG X:Ser1664.98
MgCE X:Lys1824.89
MgNZ X:Lys1823.44
MgC X:Gly2554.87
MgCA X:Gly2554.53
MgN X:Thr2564.43
MgCB X:Thr2564.81
MgCG2 X:Thr2564.66
MgO2 X:2kt2952.41
MgC4 X:2kt2954.65
MgC1 X:2kt2953.13
MgO1 X:2kt2954.35
MgC3 X:2kt2954.26
MgO3 X:2kt2952.21
MgC2 X:2kt2953.05
MgO X:Hoh3262.20

interactive model:

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