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ANALYSIS FOR CADMIUM (II) NITRATE [CJA]
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Formula : CD1,N2,O6
Solution chemistry: CD1 +2
All distances below are to the element CD [ cadmium ]
PROTEIN: 1BP2 PHOSPHOLIPASE A2 (BOVINE)
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Bound Ligands : CA CALCIUM ION: MPD 2-METHYL-2,4-PENTANEDIOL:
Hev Atom conc.: 75% SATURATION
Precip & conc.: 50.000 % MPD
Buffer & conc.: 0.100 M TRIS/HCL
Addict & conc.: 0.005 M CALCIUM CHLORIDE
Comments :
Reference : DIJKSTRA et.al. 1981 :1986 :
pH 7.6 Soak time = Hours Reference number = 22.01
Site 1: 72 ASN O 4.77 ( 6.48) . . T
: 73 TYR N 5.91 ( 5.61) . . T
: 87 GLU O 4.87 ( 6.73) . . T
: 88 ASN ND2 4.81 ( 5.05) . . T
: 89 ASN OD1 5.80 ( 5.80) . . H
: 92 GLU OE1 2.79 ( 6.58) . . H
: 35 HOH O 2.96 (-1.00) . . .
: 61 HOH O 1.44 (-1.00) . . .
: 74 HOH O 5.18 (-1.00) . . .
: 99 HOH O 2.51 (-1.00) . . .
: 17 HOH O 4.72 (-1.00) . . .
Site 2: 12 LYS NZ 2.77 ( 7.67) . . .
: 80 ASN O 4.95 ( 7.21) . . T
: 81 GLU OE1 2.58 ( 4.94) . . E
: 82 ILE N 5.50 ( 6.70) . . E
: 100 ARG NH1 5.18 ( 9.16) . . H
: 104 ILE CD1 4.79 ( 6.67) . . H
: 108 LYS NZ 5.32 (10.15) . . H
: 9 HOH O 2.78 (-1.00) . . .