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ANALYSIS FOR MERCURY PHENYL GLYOXAL (MPG) [HAY]
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Formula : C8,O2,H6,HG1
Solution chemistry: [C6,H5]1,[(HG1),(C1,O1),(C1,H1,O1),]1 -0
All distances below are to the element HG [ mercury ]
| PROTEIN: 2HMG HAEMAGGLUTININ (INFLUENZA VIRUS)
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Bound Ligands : NAG N-ACETYL-D-GLUCOSAMINE: MAN ALPHA-D-MANNOSE:
Hev Atom conc.: 75% SATURATION
Precip & conc.: 1.280 M SODIUM CITRATE
Buffer & conc.: 0.000 M
Addict & conc.: 0.100 % AZIDE
Comments :
Reference : WILSON et.al. 1981 :
pH 7.5 Soak time = Hours Reference number = 118.00
Site 1: 79 ASP D OD1 3.32 ( 4.65) . . .
: 82 LYS D NZ 5.93 ( 7.55) . . .
: 110 SER E OG 4.67 ( 6.81) . . H
: 114 SER E OG 4.39 ( 6.28) . . H
: 64 HIS F NE2 3.13 ( 4.46) . . .
: 65 GLN F O 4.14 ( 4.93) . . .
Site 2: 110 SER A OG 4.48 ( 6.64) . . .
: 114 SER A OG 4.30 ( 6.17) . . .
: 64 HIS B NE2 3.05 ( 4.62) . . .
: 65 GLN B O 4.30 ( 5.15) . . .
: 79 ASP F OD1 3.29 ( 4.76) . . H
: 82 LYS F NZ 5.84 ( 7.70) . . H
Site 3: 63 ASP C OD1 2.56 ( 5.36) . . .
: 64 CYS C SG 4.19 ( 6.08) d . .
: 74 PRO C O 5.90 ( 7.42) . . .
: 75 HIS C NE2 3.35 ( 3.66) . . .
: 76 CYS C SG 5.05 ( 4.90) d . .
: 94 PHE C CE1 5.62 ( 8.06) . . .
Site 4: 63 ASP A OD1 2.57 ( 5.44) . . .
: 64 CYS A SG 4.73 ( 6.46) d . .
: 75 HIS A NE2 3.61 ( 3.91) . . .
: 76 CYS A SG 5.60 ( 5.37) d . .
: 94 PHE A CE1 5.55 ( 8.16) . . .
: 325 GLU C OE1 3.98 ( 7.77) . . .
: 25 ARG D NH2 4.48 (10.34) . . E
Site 5: 79 ASP B OD1 3.20 ( 4.64) . . .
: 82 LYS B NZ 5.93 ( 7.66) . . .
: 110 SER C OG 4.46 ( 6.60) . . .
: 114 SER C OG 4.22 ( 6.12) . . .
: 64 HIS D NE2 3.04 ( 4.66) . . .
: 65 GLN D O 4.36 ( 5.22) . . .
Site 6: 63 ASP E OD1 2.51 ( 5.33) . . .
: 64 CYS E SG 4.60 ( 6.30) d . .
: 75 HIS E NE2 3.34 ( 3.86) . . .
: 76 CYS E SG 5.45 ( 5.37) d . .
: 94 PHE E CE1 5.27 ( 7.88) . . .
| PROTEIN: 3GBP GALACTOSE-BINDING PROTEIN (SALMONELLA TYPHIMURIUM)
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Bound Ligands : GLC GLUCOSE: CA CALCIUM II:
Hev Atom conc.: 10.000 mM
Precip & conc.: 30.000 % PEG 4000
Buffer & conc.: 0.050 M SODIUM PHOSPHATE
Addict & conc.:
Comments :
Reference : PETSKO et.al. 1983 :
pH 7.0 Soak time = 336.00 Hours Reference number = 61.01
Site 1: 196 LEU O 4.04 ( 5.75) . . H
: 197 SER OG 5.91 ( 5.97) . . T
: 225 HIS NE2 4.71 ( 4.20) . . T
: 56 HOH O 4.56 (-1.00) . . .
: 91 HOH O 1.70 (-1.00) . . .
: 92 HOH O 1.05 (-1.00) . . .
Site 2: 193 ASP OD1 5.57 ( 6.57) . . H
: 196 LEU O 5.52 ( 6.86) . . H
: 197 SER OG 3.59 ( 5.27) . . T
: 225 HIS NE2 3.82 ( 6.33) . . T
: 91 HOH O 4.75 (-1.00) . . .
: 92 HOH O 5.01 (-1.00) . . .
Site 3: 192 MET O 6.00 ( 7.29) . . H
: 193 ASP OD1 5.04 ( 4.32) . . H
: 196 LEU CD1 4.59 ( 6.42) . . H
: 197 SER OG 5.56 ( 7.33) . . T
: 220 GLU O 5.31 ( 7.43) . . H
: 221 ALA O 3.18 ( 4.16) . . H
: 222 LEU O 5.94 ( 5.88) . . H
: 224 ALA O 4.61 ( 4.35) . . H
: 225 HIS NE2 1.67 ( 4.40) . . T
: 88 HOH O 3.08 (-1.00) . . .