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ANALYSIS FOR LEAD (II) NITRATE [DPA]
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Formula : PB1,N2,O6
Solution chemistry: PB1 +2
All distances below are to the element HG [ mercury ]
| PROTEIN: 1ETU ELONGATION FACTOR TU COMPLEX (ESCHERICHIA COLI)
|
Bound Ligands : GDP GUANOSINE DIPHOSPHATE: MG MAGNESIUM ION:
Hev Atom conc.: 1.000 mM
Precip & conc.: 15.000 % PEG 6000
Buffer & conc.: 0.050 M TRIS/HCL
Addict & conc.: 0.002 M B-MERCAPTOETHANOL
Comments :
Reference : COUR et.al. 1987 :MORIKAWA et.al. 1978 :RUBIN et.al. 1981 :
pH 7.0 Soak time = 240.00 Hours Reference number = 157.02
Site 1: 181 ASP OD1 3.53 ( 6.24) . . .
Site 2: 154 ARG CB 5.77 ( 6.42) . . .
: 155 GLU OE2 5.00 ( 5.80) . . .
Site 4: 15 GLY O 5.78 ( 7.14) . . .
: 17 ILE CD1 5.98 ( 8.77) . . .
: 98 MET CE 5.45 ( 7.64) . . .
: 99 ASP O 5.29 ( 7.00) . . .
: 100 GLY O 5.09 ( 4.68) . . .
: 101 ALA O 2.81 ( 2.94) . . .
: 102 ILE N 4.64 ( 5.77) . . .
: 127 VAL CG1 3.41 ( 5.32) . . .
: 128 PRO O 5.22 ( 5.62) . . .
: 129 TYR CG 5.70 ( 3.30) . . .
: 130 ILE CD1 4.12 ( 2.31) . . .
: 131 ILE CG2 5.12 ( 5.52) . . .
: 162 PHE CE1 4.84 ( 8.76) . . .
Site 6: 14 VAL CG1 5.94 ( 7.15) . . .
: 76 TYR OH 5.86 (10.40) . . .
: 100 GLY C 5.65 ( 4.95) . . .
: 101 ALA N 5.79 ( 6.86) . . .
: 102 ILE CD1 5.97 ( 7.02) . . .
: 129 TYR CG 5.82 ( 6.22) . . .
: 131 ILE CD1 3.50 ( 5.74) . . .
: 194 PHE O 4.38 ( 5.97) . . .
: 195 LEU CD2 4.43 ( 3.60) . . .
: 196 ASP N 5.40 ( 6.29) . . .
: 197 SER C 5.99 ( 6.77) . . .
: 198 TYR CE1 5.64 ( 4.74) . . .
: 199 ILE CD1 2.50 ( 3.84) . . .
| PROTEIN: 2CNA CONCANAVALIN A
|
Bound Ligands : MN MANGANESE ION: CA CALCIUM ION:
Hev Atom conc.: 1.000 mM
Precip & conc.: 0.300 M SODIUM NITRATE
Buffer & conc.: 0.010 M SODIUM MALEATE
Addict & conc.:
Comments : PROTEIN PREPARED ACCORDING TO CUNNINGHAM (33):XL P
Reference : BECKER et.al. 1975 :QUIOCHO et.al. 1971 :
pH 6.8 Soak time = 24.00 Hours Reference number = 134.00
Site 1: 87 GLU OE1 3.08 ( 7.01) . . E
: 88 TRP NE1 4.96 ( 8.37) . . E
: 180 HIS NE2 5.02 ( 9.20) . . E
: 182 TRP CH2 5.47 ( 8.20) . . T
: 183 GLU CG 5.43 ( 5.89) . . T
: 184 SER N 5.64 ( 6.45) . . T
: 134 SER OG 4.97 ( 6.03) . . T
: 135 LYS CB 5.89 ( 5.98) . . T
: 136 ASP OD1 4.16 ( 4.63) . . T
: 137 GLN N 5.88 ( 7.24) . . T
: 21 SER OG 5.66 ( 7.23) . . T
Site 2: 59 LYS NZ 5.20 ( 8.35) . . E
: 80 ASP OD1 4.79 ( 5.67) . . T
: 82 ASN CG 2.78 ( 4.10) . . T
: 83 ASP OD1 3.79 ( 5.56) . . T
: 182 TRP CD1 5.85 ( 8.20) . . T
: 100 TYR OH 4.67 ( 7.80) . . T
: 203 ASP OD1 5.26 ( 7.15) . . T
: 205 HIS ND1 5.37 ( 6.20) . . T
| PROTEIN: 2HVP HUMAN IMMUNODEFICIENCY VIRUS (HIV - 1)(NY5)
|
Hev Atom conc.: 1.000 mM
Precip & conc.: 0.250 M SODIUM CHLORIDE
Buffer & conc.: 0.100 M IMIDAZOLE / HCL
Addict & conc.: 0.003 M SODIUM AZIDE
Comments :
Reference : MCKEEVER et.al. 1989 :NAVIA et.al. 1989 :
pH 7.0 Soak time = 12.00 Hours Reference number = 324.01
Site 1: 25 ASP CA 5.85 ( 5.85) . . .
: 26 THR CA 5.67 ( 5.67) . . .
: 27 GLY CA 3.08 ( 3.08) . . .
: 25 ASP CA 5.61 ( 5.61) . . .
: 26 THR CA 5.24 ( 5.24) . . .
: 27 GLY CA 2.28 ( 2.28) . . .
: 28 ALA CA 5.98 ( 5.98) . . .
| PROTEIN: 2LIV LEUCINE, ISOLEUCINE, VALINE BINDING PROTEIN (E. CO
|
Hev Atom conc.: 5.000 mM
Precip & conc.: 20.000 % PEG 6000
Buffer & conc.: 0.010 M SODIUM ACETATE
Addict & conc.: 0.020 % SODIUM AZIDE
Comments : +56 HA AT INTERFACE BETWEEN ADJACENT MOLS IN XL.
Reference : QUIOCHO et.al. 1983 :
pH 4.5 Soak time = 168.00 Hours Reference number = 313.02
Site 1: 87 ASP OD1 5.02 ( 4.99) . . H
: 90 GLU OE2 5.89 ( 6.59) . . H
: 91 ASP OD1 2.77 ( 5.51) . . H
: 111 TYR OH 3.44 ( 8.34) . . .
: 172 PHE CE1 4.93 ( 4.67) . . E
: 173 ASP N 5.16 ( 5.45) . . E
Site 2: 294 SER OG 5.45 ( 6.39) . . H
: 295 ASP OD1 5.44 ( 4.66) . . .
: 296 ASP OD2 5.51 ( 4.84) . . H
: 472 HOH O 5.16 (-1.00) . . .
Site 3: 66 VAL CG1 5.09 ( 7.51) . . H
: 91 ASP O 5.37 ( 7.14) . . H
: 92 GLU OE1 2.81 ( 5.03) . . H
: 156 ARG O 4.66 ( 6.16) . . H
: 159 GLN NE2 5.67 ( 6.87) . . H
: 160 ASP OD1 1.95 ( 4.58) . . H
: 468 HOH O 5.43 (-1.00) . . .
Site 4: 1 GLU N 3.91 ( 5.34) . . .
: 450 HOH O 1.99 (-1.00) . . .
: 179 GLU OE1 5.06 ( 5.31) . . .
: 180 LYS N 5.77 ( 6.81) . . .
: 181 ASP CG 5.97 ( 5.56) . . .
| PROTEIN: 2PRK PROTEINASE K (TRITIBACHIUM ALBUM LIMBER)
|
Bound Ligands : CA CALCIUM 2+ ION:
Hev Atom conc.: 75% SATURATION
Precip & conc.: 1.000 M SODIUM NITRATE
Buffer & conc.: 0.050 M TRIS
Addict & conc.: 0.010 M CALCIUM CHLORIDE
Comments :
Reference : BETZEL et.al. 1988 :PAHLER et.al. 1984 :
pH 6.5 Soak time = Hours Reference number = 289.00
Site 1: 174 GLU O 4.59 ( 6.86) . . T
: 175 PRO O 2.49 ( 4.16) . . T [Het: CACA - CA 4.20]
: 176 SER O 5.27 ( 4.91) . . T
: 177 VAL CG2 5.80 ( 4.85) . . T [Het: CACA - C 3.70]
: 178 CYS CB 5.82 ( 4.67) d . E
: 179 THR OG1 4.79 ( 5.61) . . E
: 198 VAL O 4.08 ( 5.82) . . T
: 199 LEU O 5.90 ( 6.25) . . T
: 200 ASP OD1 2.44 ( 5.14) . . E [Het: CACA - CG 2.90]
: 249 CYS SG 5.08 ( 7.50) d . T
: 280 CA CA 0.22 (-1.00) . . .
: 1 HOH O 2.46 (-1.00) . . .
: 2 HOH O 2.58 (-1.00) . . .
: 3 HOH O 2.25 (-1.00) . . .
: 4 HOH O 2.42 (-1.00) . . .
: 15 HOH O 5.01 (-1.00) . . .
: 115 HOH O 4.32 (-1.00) . . .
: 165 HOH O 4.43 (-1.00) . . .
: 166 HOH O 5.11 (-1.00) . . .
Site 2: 12 ARG NH1 5.94 (10.12) . . .
: 16 THR OG1 4.94 ( 4.43) . . . [Het: CACA - C 3.60]
: 17 SER OG 5.70 ( 5.13) . . .
: 18 PRO CD 5.99 ( 7.90) . . .
: 257 ASN OD1 5.01 ( 5.40) . . E
: 258 LYS O 5.33 ( 6.57) . . E
: 260 ASP OD1 2.31 ( 5.12) . . T [Het: CACA - CG 2.90]
: 281 CA CA 0.59 (-1.00) . . .
: 5 HOH O 1.91 (-1.00) . . .
: 6 HOH O 2.97 (-1.00) . . .
: 11 HOH O 5.46 (-1.00) . . .
: 13 HOH O 4.76 (-1.00) . . .
: 153 HOH O 5.56 (-1.00) . . .
| PROTEIN: 6ACN ACONITASE (CITRATE [ISOCITRATE] HYDROLASE) PIG HEA
|
Bound Ligands : FS4 FE4-S4 CLUSTER: SO4 SULFATE: TRC TRICARBALLYLIC ACID:
Hev Atom conc.: 100% SATURATION
Precip & conc.: 2.900 M AMMONIUM SULPHATE
Buffer & conc.: 0.250 M BIS-TRIS
Addict & conc.: 0.350 M SODIUM CHLORIDE
Comments : APO-ENZYME; BACK SOAK XLS IN SYNTHETIC MOTHER LIQU
Reference : STOUT et.al. 1988 :
pH 7.0 Soak time = 72.00 Hours Reference number = 273.02
Site 1: 72 GLN NE2 5.12 ( 7.48) . s E [Het: SO4 S - NE2 4.00]
: 100 ASP OD1 5.74 ( 7.96) . s T
: 101 HIS NE2 3.46 ( 7.30) . s T [Het: FS4FE3 - CE1 3.90]
: 145 ILE CG2 5.24 ( 7.23) . . T [Het: FS4FE1 - CG2 3.80]
: 146 ILE CG2 4.88 ( 7.10) . . T [Het: FS4 S3 - CG2 4.10]
: 147 HIS NE2 3.83 ( 7.44) . s H [Het: FS4FE1 - CD2 3.80]
: 165 ASP OD1 2.71 ( 5.78) . s T [Het: FS4 S3 - CG 4.20]
: 167 HIS ND1 4.93 ( 5.94) . s 5 [Het: FS4 S1 - CB 4.00]
: 358 CYS SG 5.38 ( 7.69) . . T [Het: FS4FE1 - N 4.00]
: 421 CYS SG 4.12 ( 6.40) . . T [Het: FS4FE3 - CA 3.80]
: 425 ILE CG1 5.67 ( 7.15) . . 5 [Het: FS4 S4 - CG1 3.40]
: 452 ARG NH1 5.95 (12.21) . s T
: 999 FS4 FE1 3.55 (-1.00) . s .
: 998 SO4 O3 5.94 (-1.00) . s .
: 806 HOH O 1.59 (-1.00) . . .
: 807 HOH O 5.50 (-1.00) . . .
: 892 HOH O 4.69 (-1.00) . . .
: 963 HOH O 5.50 (-1.00) . . .