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ANALYSIS FOR ORTHO-CHLOROMERCURI NITROPHENOL (OCMNP) [HCJ]
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Formula : C6,H4,O3,HG1,CL1,N1
Solution chemistry: [C6,H3]1,[O1,H1]1,[(HG1),(CL1)]1,[N1,O2]1 -0
All distances below are to the element HG [ mercury ]
| PROTEIN: 1ABP L-ARABINOSE-BINDING PROTEIN (ESCHERICHIA COLI)
|
Hev Atom conc.: 2.000 mM
Precip & conc.: 60.000 % MPD
Buffer & conc.: 0.010 M POTASSIUM PHOSPHATE
Addict & conc.:
Comments :
Reference : QUIOCHO et.al. 1977 :
pH 6.5 Soak time = 336.00 Hours Reference number = 55.02
Site 1: 169 ILE O 5.21 ( 6.71) . . .
: 170 TYR OH 3.41 ( 4.94) . . E
: 189 MET SD 3.64 ( 6.10) . . .
: 192 GLN NE2 4.22 ( 6.34) . . .
: 193 HIS NE2 2.39 ( 6.12) . . .
Site 2: 10 LYS NZ 4.34 ( 7.54) . . E
: 17 PHE CE1 5.13 ( 9.11) . . .
: 63 ILE O 4.91 ( 6.72) . . E
: 64 CYS SG 1.78 ( 3.31) . . E
: 65 THR O 5.11 ( 5.72) . . .
: 88 VAL CG1 4.57 ( 4.74) . . E
: 89 ASP OD1 4.47 ( 3.80) . . E
: 90 ASP OD1 4.26 ( 2.70) . . .
: 91 GLN O 5.70 ( 5.87) . . .
| PROTEIN: 1HNE ELASTASE (HUMAN NEUTROPHIL / CHLOROMETHYL KETONE I
|
Bound Ligands : MSU METHOXYSUCCINYL: ALM ALANINE,METHYLENE C BOUND TO CARBOXY C.:
Hev Atom conc.: 10.000 mM
Precip & conc.:
Buffer & conc.: 2.000 M SODIUM / POTASSIUM PHOSPHATE
Addict & conc.:
Comments : HA SOAK OVERNIGHT: XLS____CS2-XLS (3D CS2 ANAEROBI
pH 7.0 Soak time = 12.00 Hours Reference number = 328.01
Site 1: 129 ARG E NH2 5.80 ( 7.74) . . .
: 178 ARG E NH2 5.15 ( 4.94) . . .
: 179 SER E N 5.00 ( 5.15) . . .
: 233 GLN E OE1 4.11 ( 7.02) . . .
: 165 HOH O 5.84 (-1.00) . . .
: 202 HOH O 4.22 (-1.00) . . .
: 205 HOH O 4.46 (-1.00) . . .
: 330 HOH O 1.25 (-1.00) . . .
: 351 HOH O 5.78 (-1.00) . . .
: 428 HOH O 2.91 (-1.00) . . .
: 450 HOH O 4.74 (-1.00) . . .
: 21 ARG E NE 5.22 ( 8.23) . . .
: 134 HOH O 3.09 (-1.00) . . .
: 334 HOH O 4.16 (-1.00) . . .
Site 2: 21 ARG E NE 5.76 ( 5.30) . . .
: 22 ALA E O 3.03 ( 5.28) . . .
: 23 ARG E O 5.52 ( 4.76) . . .
: 24 PRO E CD 3.69 ( 4.71) . . .
: 71 HIS E NE2 2.38 ( 6.85) . . .
: 154 VAL E CG1 5.23 ( 6.12) . . .
: 155 LEU E O 5.78 ( 7.05) . . .
: 134 HOH O 5.68 (-1.00) . . .
: 178 ARG E NH1 4.00 ( 7.86) . . .
: 351 HOH O 0.90 (-1.00) . . .
: 423 HOH O 6.00 (-1.00) . . .
: 435 HOH O 3.98 (-1.00) . . .
| PROTEIN: 1TIM TRIOSE PHOSPHATE ISOMERASE
|
Hev Atom conc.: 75% SATURATION
Precip & conc.: 60.000 % AMMONIUM SULPHATE
Buffer & conc.: 0.100 M TRIETHANOLAMINE HYDROCHLORIDE
Addict & conc.: 0.005 M MERCAPTOETHANOL/EDTA
Comments : CO-CRYSTALLIZATION
Reference : BANNER et.al. 1971 :1975 :
pH 7.4 Soak time = Hours Reference number = 40.00
Site 1: 155 LYS B O 5.12 ( 6.68) . . .
: 157 TRP B NE1 4.42 ( 5.81) . . .
: 196 VAL B CG1 2.92 ( 5.22) . . H
: 197 SER B OG 4.35 ( 5.78) . . H
: 199 ALA B CB 5.54 ( 6.05) . . H
: 200 VAL B CG1 3.28 ( 3.79) . . H
: 201 ALA B N 5.79 ( 7.18) . . H
Site 2: 38 GLU A OE2 5.75 ( 8.26) . . E
: 19 LYS B O 5.29 ( 7.29) . . H
: 20 SER B O 5.67 ( 7.07) . . H
: 21 LEU B O 5.94 ( 7.48) . . H
: 22 GLY B O 3.76 ( 4.99) . . H
: 23 GLU B OE1 4.84 ( 2.11) . . H
: 24 LEU B C 5.73 ( 5.57) . . H
: 25 ILE B N 5.89 ( 6.54) . . H
: 26 HIS B NE2 5.13 ( 4.92) . . H
: 27 THR B OG1 4.74 ( 5.92) . . H
Site 3: 5 LYS A CD 5.01 ( 5.34) . . .
: 6 PHE A O 5.88 ( 7.05) . . E
: 35 ALA A O 5.10 ( 7.20) . . .
: 36 ASP A CG 6.00 ( 4.11) . . E
: 37 THR A O 4.41 ( 4.65) . . E
: 38 GLU A OE1 5.30 ( 4.93) . . E
: 23 GLU B OE1 5.03 ( 6.10) . . H
Site 4: 2 PRO A CD 5.94 ( 5.81) . . .
: 5 LYS A NZ 5.53 ( 5.11) . . .
: 36 ASP A O 5.68 ( 5.96) . . E
: 23 GLU B OE1 5.07 ( 6.18) . . H
| PROTEIN: 3GBP GALACTOSE-BINDING PROTEIN (SALMONELLA TYPHIMURIUM)
|
Bound Ligands : GLC GLUCOSE: CA CALCIUM II:
Hev Atom conc.: 3.000 mM
Precip & conc.: 30.000 % PEG 4000
Buffer & conc.: 0.050 M SODIUM PHOSPHATE
Addict & conc.:
Comments : CS2 TREATMENT, BACK SOAKED 24 HOURS
Reference : PETSKO et.al. 1983 :
pH 8.0 Soak time = 72.00 Hours Reference number = 61.03
Site 2: 193 ASP OD2 5.14 ( 6.01) . . H
: 196 LEU CD1 4.59 ( 4.40) . . H
: 197 SER OG 4.34 ( 4.93) . . T
: 221 ALA O 5.55 ( 7.39) . . H
: 224 ALA O 5.70 ( 6.78) . . H
: 225 HIS NE2 2.64 ( 3.97) . . T
: 56 HOH O 4.96 (-1.00) . . .
: 91 HOH O 2.56 (-1.00) . . .
: 92 HOH O 2.89 (-1.00) . . .