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ANALYSIS FOR PARA-ACETOXYMERCURI ANILINE (PAMA) [HBV]
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Formula : C8,H9,O2,HG1,N1
Solution chemistry: [C6,H4]1,[N1,H2]1,[(HG1),(O1),(C1,O1),(C1,H3)]1 -0
All distances below are to the element HG [ mercury ]
| PROTEIN: 2APR ACID PROTEINASE (RHIZOPUS CHINENSIS)
|
Bound Ligands : CA CALCIUM ION:
Hev Atom conc.: 75% SATURATION
Precip & conc.: 0.000 M
Buffer & conc.: 0.000 M
Addict & conc.: 0.000 M
Comments :
Reference : SUBRAMANIAN et.al. 1976 :
pH Soak time = Hours Reference number = 56.03
Site 1: 752 HOH O 5.14 (-1.00) . . .
Site 2: 35 ASP O 4.08 ( 5.76) . s E
: 38 SER OG 4.99 ( 5.22) . . T
: 39 SER OG 5.01 ( 3.45) . . T
: 40 ASP O 4.30 ( 4.98) . . E
: 41 LEU N 5.35 ( 5.77) . . E
: 123 LEU CD1 4.29 ( 4.41) . . E
: 124 GLY O 1.36 ( 1.14) . . E
: 125 LEU CD1 5.84 ( 3.25) . . T
: 126 GLY O 5.23 ( 5.30) . . T
: 138 THR CG2 5.52 ( 6.47) . . T
: 139 PRO CD 4.96 ( 7.05) . . H
: 503 HOH O 2.85 (-1.00) . . .
: 510 HOH O 5.23 (-1.00) . . .
: 572 HOH O 4.33 (-1.00) . . .
: 589 HOH O 5.23 (-1.00) . . .
| PROTEIN: 2SNS STAPHYLOCOCCAL NUCLEASE
|
Bound Ligands : CA CALCIUM(II) ION: PTP THYMIDINE INHIBITOR:
Hev Atom conc.: 0.100 mM
Precip & conc.: 40.000 % MPD
Buffer & conc.: 0.010 M POTASSIUM PHOSPHATE
Addict & conc.:
Comments :
Reference : ARNONE et.al. 1969 :1971 :COTTON et.al. 1966 :1979 :
pH 8.2 Soak time = 672.00 Hours Reference number = 241.03
Site 1: 8 HIS NE2 5.66 ( 6.37) . . .
: 10 GLU OE1 2.82 ( 6.55) . . .
: 27 TYR OH 3.53 ( 9.54) . . E
: 28 LYS NZ 4.89 ( 9.30) . . T
: 76 PHE CE1 4.35 ( 7.41) . . T
Site 2: 1 ALA O 3.51 ( 4.11) . . .
: 2 THR OG1 5.45 ( 6.20) . . .
: 3 SER O 4.93 ( 6.01) . . .
: 4 THR OG1 2.40 ( 3.19) . . .
: 5 LYS O 4.90 ( 4.24) . . .
: 6 LYS O 2.40 ( 3.95) . . .
: 7 LEU O 4.60 ( 4.62) . . .
: 8 HIS ND1 5.22 ( 4.88) . . .
| PROTEIN: 3FAB IMMUNOGLOBULIN FAB (PRIME) NEW
|
Hev Atom conc.: 75% SATURATION
Precip & conc.: 45.000 % AMMONIUM SULPHATE
Buffer & conc.: 0.000 M SODIUM/POTASSIUM PHOSPHATE
Addict & conc.: 0.000 M
Comments :
Reference : POLJAK et.al. 1971 :1972 :
pH 6.0 Soak time = Hours Reference number = 137.02
Site 1: 29 GLY L O 5.96 ( 7.35) . . .
: 30 ASN L OD1 4.52 ( 4.54) . . .
: 31 HIS L N 5.85 ( 6.86) . . E
: 90 TYR L CE2 5.99 ( 5.53) . . E
: 91 ASP L N 5.78 ( 6.41) . . E
: 92 ARG L O 5.35 ( 6.58) . . .
: 100 ILE H CG2 5.25 ( 7.12) . . E
: 200 GLU L OE1 3.70 ( 4.38) . . .
: 201 GLY L N 5.58 ( 6.52) . . .
Site 2: 196 GLN L OE1 5.38 ( 9.50) . . E
: 59 THR H OG1 4.46 ( 6.33) . . .
: 64 ARG H NH2 5.00 ( 4.08) . . .
: 65 SER H O 5.62 ( 4.86) . . .
Site 3: 139 SER L OG 5.67 ( 6.81) . . E
: 140 ASP L OD1 5.80 ( 7.34) . . E
: 169 GLN L OE1 3.82 ( 7.90) . . E
: 167 VAL H O 5.80 ( 7.05) . . E
: 168 HIS H ND1 5.72 ( 5.74) . . E
Site 4: 48 PHE L O 4.90 ( 6.73) . . .
: 49 HIS L NE2 1.61 ( 3.19) . . .
: 50 ASN L OD1 3.49 ( 4.65) . . .
: 84 ASP L OD1 4.42 ( 7.56) . . E
: 104 LYS L NZ 4.48 ( 6.19) . . E [Het: NDPAO1 - C 4.10]
: 42 GLY H O 5.41 ( 6.81) . . .
: 43 ARG H NH1 3.96 ( 5.50) . . E
| PROTEIN: 5CPA CARBOXYPEPTIDASE A/WATER A
|
Bound Ligands : ZN ZINC(II) ION:
Hev Atom conc.: 3.000 mM
Precip & conc.:
Buffer & conc.: SODIUM ACETATE/TRIS
Addict & conc.:
Comments : GROWN IN ACETATE BUFFER AG AND HG DERIV. PREP ABSE
Reference : HARTSUCK et.al. 1965 :LIPSCOMB et.al. 1966 :1971 :1973 :REES et.al. 1981 :1983 :
pH 8.0 Soak time = 8064.00 Hours Reference number = 228.05
Site 1: 68 ILE CG2 5.93 ( 7.52) . . T
: 69 HIS NE2 4.27 ( 5.40) . . T [Het: ZNZN - CB 3.40]
: 72 GLU OE1 2.29 ( 6.91) . . T [Het: ZNZN - CD 2.60]
: 127 ARG NH2 4.02 ( 7.88) . . T
: 196 HIS NE2 4.73 ( 4.81) . . E [Het: ZNZN - CB 3.40]
: 197 SER O 3.81 ( 5.56) . . T [Het: ZNZN - O 4.00]
: 198 TYR N 5.81 ( 7.11) . . T
: 270 GLU OE1 3.73 ( 7.12) . . E
: 279 PHE CE1 5.74 ( 9.56) . . T
: 308 ZN ZN 0.98 (-1.00) . . .
: 560A HOH O 5.30 (-1.00) . . .
: 567A HOH O 2.60 (-1.00) . . .
: 571A HOH O 1.36 (-1.00) . . .
: 587A HOH O 3.71 (-1.00) . . .
Site 2: 28 GLN O 4.40 ( 6.41) . . T
: 29 HIS NE2 4.11 ( 3.91) . . T
: 30 PRO N 5.68 ( 6.99) . . T
: 32 LEU CD2 4.50 ( 6.00) . . E
: 87 THR CG2 5.65 ( 5.58) . . T
: 447A HOH O 1.79 (-1.00) . . .
: 450A HOH O 5.85 (-1.00) . . .
: 453A HOH O 4.12 (-1.00) . . .
: 447I HOH O 1.80 (-1.00) . . .
: 453I HOH O 4.14 (-1.00) . . .
Site 3: 4 THR OG1 3.44 ( 5.77) . . T
: 5 ASN OD1 4.91 ( 6.54) . . T
: 25 LEU CD1 4.50 ( 6.38) . . T
: 28 GLN OE1 3.70 ( 6.23) . . T
: 29 HIS NE2 2.42 ( 6.87) . . T
: 84 LYS NZ 2.44 ( 5.66) . . T
: 87 THR OG1 3.34 ( 5.32) . . T
: 88 GLU OE1 5.79 ( 5.84) . . T
: 450A HOH O 1.38 (-1.00) . . .