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ANALYSIS FOR 3,3 BIS (HYDROXIMERCURI)-3-NITRATOMERCU [HCO]
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Formula : C3,H5,N1,O6,HG3
Solution chemistry: [O2,N1),(HG1),{(C1),(HG1),(O1,H1),(HG1),(O1,H1)},(
All distances below are to the element HG [ mercury ]
| PROTEIN: 7API ALPHA-1-ANTITRYPSIN/MODIFIED (TETRAGONAL)
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Bound Ligands : NAG N-ACETYL-D-GLUCOSAMINE: MAN ALPHA-D-MANNOSE:
Hev Atom conc.: 75% SATURATION
Precip & conc.: 0.000 M
Buffer & conc.: 2.600 M POTASSIUM/SODIUM PHOSPHATE
Addict & conc.: 0.000 M
Comments : XL REDUCED BY GLUTATHIONE : UNBLOCKED CYS 232
Reference : LOBERMANN et.al. 1984 :
pH 8.0 Soak time = Hours Reference number = 244.05
Site 1: 151 GLU A OE1 5.27 ( 8.79) . . H
: 230 GLN A NE2 5.18 ( 8.26) . . E
: 231 HIS A O 5.59 ( 6.95) . . E
: 232 CYS A SG 2.02 ( 4.03) d . E
: 233 LYS A N 5.60 ( 6.78) . . E
: 234 LYS A NZ 5.04 ( 5.92) . . .
: 235 LEU A CD1 5.50 ( 6.88) . . .
: 275 PHE A CE1 4.33 ( 7.58) . . H
: 395 CYS C SG 0.78 ( 2.37) d . .
Site 2: 149 ASP A OD1 5.91 ( 7.79) . . .
: 151 GLU A OE1 5.63 ( 9.46) . . H
: 231 HIS A O 5.00 ( 6.19) . . E
: 232 CYS A SG 2.13 ( 2.40) d . E
: 233 LYS A O 5.19 ( 4.29) . . E
: 234 LYS A NZ 5.82 ( 3.58) . . .
: 235 LEU A CD1 4.85 ( 4.68) . . .
: 236 SER A N 5.28 ( 6.36) . . E
: 275 PHE A CE1 5.84 ( 9.79) . . H
: 395 CYS C SG 2.28 ( 5.04) d . .
Site 3: 62 ALA A O 5.26 ( 6.70) . . H
: 65 SER A OG 3.36 ( 5.14) . . H
: 66 LEU A CD1 4.53 ( 4.92) . . H
: 73 HIS A NE2 3.68 ( 7.06) . . H
: 77 LEU A CD1 3.90 ( 6.74) . . H
: 89 GLU A OE1 4.08 ( 5.31) . . H
: 92 ILE A CD1 5.87 ( 6.96) . . H
: 93 HIS A NE2 2.22 ( 6.67) . . H