_____________________________________________________________
ANALYSIS FOR POTASSIUM HEXAIODO PLATINATE (IV) [PFI]
_____________________________________________________________
Formula : K2,PT1,I6
Solution chemistry: PT1,I6 -2
All distances below are to the element PT [ platinum ]
| PROTEIN: 1BP2 PHOSPHOLIPASE A2 (BOVINE)
|
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 = 22.02
Site 1: 24 ASN OD1 4.90 ( 7.76) . . T
: 31 LEU CD1 3.83 ( 6.08) . . T
: 47 HOH O 4.85 (-1.00) . . .
: 73 HOH O 5.42 (-1.00) . . .
: 38 VAL CG1 5.67 ( 5.96) . . T
: 114 GLU OE1 5.36 ( 6.77) . . T
: 115 HIS NE2 2.19 ( 6.22) . . T
Site 2: 121 LYS NZ 5.74 ( 4.79) . . T
: 70 THR CG2 4.93 ( 6.71) . . T
: 27 HOH O 5.15 (-1.00) . . .
: 56 HOH O 5.22 (-1.00) . . .
: 58 LEU CD1 4.58 ( 4.76) . . H
: 59 ASP OD2 5.80 ( 4.61) . . H
: 60 SER OG 3.06 ( 4.46) . . H
: 61 CYS N 5.77 ( 7.18) d . H
: 90 ALA CB 5.26 ( 6.52) . . H
: 42 HOH O 3.52 (-1.00) . . .
: 62 HOH O 0.90 (-1.00) . . .
: 89 HOH O 3.05 (-1.00) . . .
Site 3: 31 LEU CD1 2.67 ( 6.24) . . T
: 47 HOH O 5.43 (-1.00) . . .
: 38 VAL CG1 3.81 ( 5.28) . . T
: 115 HIS NE2 3.87 ( 6.60) . . T
: 118 LEU CD1 4.99 ( 7.67) . . T
: 122 ASN OD1 5.98 ( 6.58) . . T
| PROTEIN: 1CC5 CYTOCHROME C5 (OXIDIZED, AZOTOBACTER VINELANDII)
|
Bound Ligands : HEM PROTOPORPHYRIN IX CONTAINS FE(III):
Hev Atom conc.: 100% SATURATION
Precip & conc.: 4.000 M AMMONIUM SULPHATE
Buffer & conc.: 0.500 M POTASSIUM PHOSPHATE
Addict & conc.: 0.000 M
Comments :
Reference : CARTER et.al. 1985 :
pH 7.4 Soak time = 480.00 Hours Reference number = 57.00
Site 1: 18 TYR OH 5.76 ( 9.87) . . . [Het: HEM CMC - C 4.10]
: 69 CYS CA 5.97 ( 5.97) d . T
: 70 ALA N 5.67 ( 6.31) . . T
: 71 ASP OD1 4.17 ( 6.64) . . T
: 33 VAL O 5.35 ( 7.64) . . T
: 61 ASN OD1 5.07 ( 8.10) . . T [Het: HEM O1D - CB 4.20]
Site 2: 70 ALA O 4.60 ( 6.16) . . T
: 71 ASP OD1 4.80 ( 5.55) . . T
: 32 LYS O 4.17 ( 5.92) . . T
: 33 VAL CG1 4.61 ( 3.56) . . T
: 34 GLY O 2.42 ( 1.00) . . T
: 35 ASP OD2 5.67 ( 3.11) . . T
: 36 SER N 4.25 ( 5.49) . . H
: 39 TRP NE1 5.76 ( 8.64) . . H [Het: HEM C2A - CZ3 3.90]
: 84 MET O 4.10 ( 6.23) . . H [Het: HEM CHB - CE 3.80]
: 85 SER O 5.51 ( 6.26) . . H
Site 3: 18 TYR OH 4.39 ( 7.63) . . . [Het: HEM CMC - C 4.10]
: 68 THR OG1 4.29 ( 6.33) . . T [Het: HEM CAB - O 4.30]
: 69 CYS O 5.84 ( 3.74) d . T
: 70 ALA CB 5.10 ( 5.19) . . T
: 71 ASP OD1 4.42 ( 5.91) . . T
: 61 ASN OD1 4.65 ( 7.29) . . T [Het: HEM O1D - CB 4.20]
| PROTEIN: 3TLN THERMOLYSIN (NATIVE)
|
Bound Ligands : CA CALCIUM(II) ION: ZN ZINC(II) ION:
Hev Atom conc.: 100% SATURATION
Precip & conc.: 0.000 M
Buffer & conc.: 0.010 M TRIS/ACETATE
Addict & conc.: 5.000 % DMSO/CALCIUM ACETATE
Comments : SITES 2 TO 13 ARE IODINE (ILA)
Reference : COLMAN et.al. 1972a:1972b:MATTHEWS et.al. 1974 :1972a:1972b:WEAVER et.al. 1974 :
pH 5.6 Soak time = 360.00 Hours Reference number = 139.12
Site 1: 45 LYS NZ 5.94 ( 8.04) . . T
: 206 SER O 4.71 ( 7.06) . . T
: 207 ASP OD1 5.22 ( 5.82) . . T
: 215 ASP OD2 4.62 ( 6.80) . . T
: 239 LYS NZ 2.34 ( 7.16) . . H
: 243 LEU CD1 5.50 ( 8.42) . . H
: 249 THR O 4.88 ( 6.91) . . T
: 250 HIS NE2 3.86 ( 4.49) . . T
: 251 TYR CE1 5.90 ( 6.90) . . T
: 361 HOH O 3.67 (-1.00) . . .
: 455 HOH O 4.97 (-1.00) . . .
: 457 HOH O 2.35 (-1.00) . . .
: 493 HOH O 5.44 (-1.00) . . .
: 523 HOH O 3.38 (-1.00) . . .
: 524 HOH O 2.70 (-1.00) . . .