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ANALYSIS FOR METHYL MERCURY CATION [HAH]
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Formula : C1,H3,HG1
Solution chemistry: [(H3,C1),(HG1)]1 +1
All distances below are to the element HG [ mercury ]
| PROTEIN: 2TS1 TYROSYL TRANSFER RNA SYNTHETASE (BACILLUS STEAROTH
|
Hev Atom conc.: 0.010 mM
Precip & conc.: 2.400 M AMMONIUM SULPHATE
Buffer & conc.: TRIS/ACETATE
Addict & conc.: 0.010 M MAGNESIUM IONS
Comments :
Reference : BRICK et.al. 1987 :IRWIN et.al. 1976 :
pH 7.0 Soak time = 720.00 Hours Reference number = 41.01
Site 1: 34 TYR O 5.81 ( 6.24) . . E
: 35 CYS SG 2.99 ( 3.33) . . E
: 36 GLY O 4.49 ( 4.67) . . E
: 37 PHE CE1 3.29 ( 5.59) . . E
: 51 THR OG1 4.92 ( 6.07) . . .
: 52 ILE CG1 5.30 ( 5.53) . . .
: 55 MET SD 3.41 ( 6.81) . . .
: 66 ILE O 4.96 ( 7.18) . . E
: 67 ALA CB 4.86 ( 4.55) . . E
: 68 LEU O 5.57 ( 6.00) . . E
: 105 LEU CD1 5.90 ( 7.91) . . .
: 190 ILE O 5.99 ( 7.52) . . E
| PROTEIN: 4HHB HAEMOGLOBIN (HUMAN, DEOXY, UNRESTRAINED)
|
Bound Ligands : HEM PROTOPORPHYRIN IX GRP CONTAINS FE(2+): PO4 PHOSPHATE GROUP:
Hev Atom conc.: 75% SATURATION
Precip & conc.: 0.000 M AMMONIUM SULPHATE
Buffer & conc.: 0.000 M
Addict & conc.: 0.000 M
Comments :
Reference : ARNONE et.al. 1976 :GEER et.al. 1970 :MUIRHEAD et.al. 1967 :
pH 6.5 Soak time = Hours Reference number = 4.02
Site 1: 90 GLU B O 5.65 ( 7.18) . . H
: 92 HIS B O 5.78 ( 7.29) . . H
: 93 CYS B SG 1.59 ( 3.51) . . H
: 94 ASP B OD1 3.43 ( 3.83) . . .
: 97 HIS B ND1 5.51 ( 6.33) . . .
: 144 LYS B O 5.88 ( 7.94) . . .
: 145 TYR B CE1 5.04 ( 5.29) . . .
: 146 HIS B OXT 5.68 ( 5.20) . . .
: 41 THR C CG2 5.31 ( 6.22) . . H
: 13 HOH O 3.44 (-1.00) . . .
: 85 HOH O 3.38 (-1.00) . . .
: 179 HOH O 3.29 (-1.00) . . .
Site 2: 93 CYS D SG 2.18 ( 4.07) . . H
: 94 ASP D OD1 2.90 ( 3.93) . . .
: 97 HIS D ND1 5.51 ( 6.70) . . .
: 144 LYS D O 5.79 ( 7.93) . . .
: 145 TYR D CD1 5.60 ( 5.62) . . .
: 146 HIS D OXT 5.44 ( 5.17) . . .
: 46 HOH O 3.99 (-1.00) . . .
: 106 HOH O 2.46 (-1.00) . . .
: 120 HOH O 3.72 (-1.00) . . .
: 216 HOH O 5.80 (-1.00) . . .
Site 3: 103 HIS C NE2 2.11 ( 4.97) . . H
: 106 LEU C CD1 5.45 ( 5.88) . . H
: 107 VAL C CG1 5.80 ( 5.07) . . H
: 122 HIS C NE2 5.69 ( 9.53) . . H
: 107 GLY D O 5.85 ( 7.81) . . H
: 108 ASN D OD1 5.31 ( 4.26) . . H
: 109 VAL D O 5.06 ( 4.82) . . H
: 111 VAL D CG1 4.51 ( 4.80) . . H
: 112 CYS D SG 2.25 ( 3.75) . . H
: 113 VAL D N 5.94 ( 7.44) . . H
: 131 GLN D OE1 5.52 ( 9.40) . . H
: 14 HOH O 4.62 (-1.00) . . .
: 19 HOH O 5.93 (-1.00) . . .
: 95 HOH O 5.77 (-1.00) . . .
Site 4: 103 HIS A NE2 2.02 ( 4.87) . . H
: 104 CYS A N 5.79 ( 6.33) . . H
: 106 LEU A CD1 4.98 ( 5.64) . . H
: 107 VAL A CG1 5.52 ( 4.84) . . H
: 122 HIS A NE2 5.70 ( 9.40) . . H
: 108 ASN B OD1 5.38 ( 4.55) . . H
: 109 VAL B O 5.57 ( 5.15) . . H
: 111 VAL B CG1 4.37 ( 4.96) . . H
: 112 CYS B SG 2.20 ( 3.87) . . H
: 113 VAL B N 6.00 ( 7.46) . . H
: 131 GLN B OE1 5.60 ( 9.43) . . H
: 16 HOH O 4.52 (-1.00) . . .
: 29 HOH O 5.71 (-1.00) . . .
: 80 HOH O 5.96 (-1.00) . . .
Site 5: 31 ARG C O 5.91 ( 6.90) . . H
: 32 MET C CG 5.84 ( 5.44) . . H
: 35 SER C OG 5.51 ( 6.56) . . H
: 36 PHE C CE1 2.43 ( 6.99) . . H
: 99 LYS C O 5.30 ( 7.38) . . H
: 100 LEU C CD2 5.43 ( 4.45) . . H
: 101 LEU C O 5.56 ( 5.55) . . H
: 102 SER C C 5.69 ( 6.73) . . H
: 103 HIS C NE2 4.62 ( 4.12) . . H
: 104 CYS C SG 2.59 ( 3.87) . . H
: 105 LEU C N 5.98 ( 7.28) . . H
: 107 VAL C CG2 5.58 ( 7.17) . . H
: 108 ASN D OD1 5.95 ( 7.85) . . H
: 127 GLN D OE1 5.96 ( 8.69) . . H
: 131 GLN D OE1 4.41 ( 8.17) . . H
Site 6: 31 ARG A O 5.57 ( 6.56) . . H
: 32 MET A CG 5.62 ( 5.12) . . H
: 35 SER A OG 5.40 ( 6.42) . . H
: 36 PHE A CE1 2.47 ( 6.93) . . H
: 99 LYS A O 5.51 ( 7.43) . . H
: 100 LEU A CD2 5.50 ( 4.52) . . H
: 101 LEU A O 5.44 ( 5.40) . . H [Het: HEM CHC - CD2 3.40]
: 102 SER A C 5.70 ( 6.68) . . H
: 103 HIS A NE2 4.91 ( 4.01) . . H
: 104 CYS A SG 2.21 ( 3.66) . . H
: 105 LEU A N 5.75 ( 7.23) . . H
: 107 VAL A CG2 5.61 ( 7.30) . . H
: 127 GLN B OE1 5.92 ( 8.68) . . H
: 131 GLN B OE1 4.58 ( 8.39) . . H