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ANALYSIS FOR SODIUM TETRACYANO PLATINATE (II) [PEQ]
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Formula : NA2,PT1,C4,N4
Solution chemistry: PT1,[C1,N1]4 -2
All distances below are to the element PT [ platinum ]
PROTEIN: 3DFR DIHYDROFOLATE REDUCTASE (LACTOBACILLUS CASEI)
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Bound Ligands : NDP NADPH: MTX METHOTREXATE:
Hev Atom conc.: 10.000 mM
Precip & conc.: 75.000 % AMMONIUM SULPHATE
Buffer & conc.: 0.050 M TRIS/HCL
Addict & conc.:
Comments :
Reference : MATTHEWS et.al. 1978 :
pH 7.3 Soak time = 168.00 Hours Reference number = 102.00
Site 1: 112 THR CG2 5.77 ( 8.22) . . E
: 114 LEU CD2 5.15 ( 7.94) . . E
: 139 VAL CG1 5.61 ( 7.24) . . E
: 140 SER CB 5.39 ( 6.83) . . E
: 157 VAL CG1 3.31 ( 5.37) . . E
: 159 GLN NE2 4.42 ( 8.06) . . E
: 305 HOH O 2.56 (-1.00) . . .
: 394 HOH O 3.63 (-1.00) . . .
: 507 HOH O 5.47 (-1.00) . . .
: 508 HOH O 3.80 (-1.00) . . .
: 509 HOH O 4.38 (-1.00) . . .
: 510 HOH O 2.96 (-1.00) . . .
: 101 GLN OE1 5.10 ( 5.18) . s H [Het: NDPAO1 - N 3.40]
: 104 THR OG1 5.27 ( 7.39) . . H
: 276 HOH O 5.06 (-1.00) . . .
: 343 HOH O 4.14 (-1.00) . . .
: 514 HOH O 3.55 (-1.00) . . .
: 562 HOH O 2.82 (-1.00) . . .
Site 2: 19 LEU CD1 4.82 ( 6.23) . s T [Het: NDPNO2* - N 3.60]
: 21 TRP O 5.80 ( 8.25) . s T [Het: NDPNN7 - CZ2 3.70]
: 22 HIS ND1 4.97 ( 6.45) . . T
: 27 LEU CD1 5.23 ( 8.80) . s T [Het: MTX C7 - CD2 3.80]
: 48 SER O 5.36 ( 7.35) . s H [Het: MTX CM - OG 3.50]
: 50 PRO CD 5.89 ( 6.97) . s T [Het: MTX C11 - CD 4.00]
: 2 MTX N10 5.85 (-1.00) . s .
: 209 HOH O 3.00 (-1.00) . . .
: 215 HOH O 3.00 (-1.00) . . .
: 217 HOH O 5.52 (-1.00) . s .
: 256 HOH O 4.08 (-1.00) . . .
: 257 HOH O 3.13 (-1.00) . . .
: 322 HOH O 5.70 (-1.00) . . .
: 347 HOH O 3.44 (-1.00) . . .
: 402 HOH O 2.60 (-1.00) . . .
: 404 HOH O 4.76 (-1.00) . . .