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ANALYSIS FOR BETA MERCURY - MERCAPTO-ETHYLAMINE HYDR [HDV]
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Formula : HG1,S2,C4,H14,CL2,,N2
Solution chemistry: HG1,[(S1),(C1,H2),(C1,H2),(N1,H3)]2 +2
All distances below are to the element HG [ mercury ]
| PROTEIN: 5TNC TROPONIN-C (TURKEY)
|
Bound Ligands : CA CALCIUM ION IN BINDING SITE III:
Hev Atom conc.: 1.000 mM
Precip & conc.: 39.000 % AMMONIUM SULPHATE
Buffer & conc.: 0.010 M SODIUM ACETATE
Addict & conc.: 3.000 % PEG 200/CALCIUM CHLORIDE
Comments :
Reference : HERZBERG et.al. 1987 :1989 :JAMES et.al. 1985a:1985b:1986 :1988 :
pH 5.0 Soak time = 19.00 Hours Reference number = 9.01
Site 1: 91 LYS NZ 4.49 ( 7.74) . . H
: 95 GLU OE1 3.76 ( 4.55) . . H
: 155 LEU CD1 5.19 ( 8.11) . . H
: 133 HOH O 5.29 (-1.00) . . .
: 146 HOH O 3.04 (-1.00) . . .
: 92 GLY O 5.13 ( 7.18) . . H
: 93 LYS O 5.06 ( 5.92) . . H
: 95 GLU O 5.43 ( 6.21) . . H
: 96 GLU OE1 2.22 ( 2.82) . . H
: 97 GLU OE2 5.80 ( 5.74) . . H
: 99 GLU OE1 5.62 ( 6.74) . . H
: 100 ASP OD1 5.21 ( 7.18) . . H
: 112 HOH O 4.23 (-1.00) . . .
: 133 HOH O 4.59 (-1.00) . . .
: 135 HOH O 2.81 (-1.00) . . .
: 66 ASP OD1 5.27 ( 7.54) . s .
: 69 GLY N 5.40 ( 4.79) . s .
Site 2: 95 GLU OE1 4.57 ( 5.47) . . H
: 98 LEU CD1 4.11 ( 6.60) . . H
: 151 PHE CE2 5.91 ( 8.09) . s H
: 155 LEU CD1 2.83 ( 4.01) . . H
: 156 LYS N 5.62 ( 6.69) . . H
: 159 GLU OE1 4.67 ( 6.57) . . .
: 146 HOH O 4.51 (-1.00) . . .
: 96 GLU OE1 4.31 ( 6.76) . . H
: 83 HOH O 5.16 (-1.00) . . .
: 112 HOH O 5.63 (-1.00) . . .
: 135 HOH O 3.93 (-1.00) . . .
: 66 ASP OD1 5.07 ( 5.39) . s .
: 67 GLU O 2.37 ( 3.90) . s .
: 68 ASP OD2 5.08 ( 3.09) . s .
: 69 GLY O 5.69 ( 3.27) . s .
: 70 SER N 5.27 ( 6.74) . s .