1
 2
 3
 4
 5
 6
 7
 8
 9
1c5w
 A19
 +
 -
 +
 +
 +
 -
 +
 +
 -
1c5x
 A19
 +
 -
 +
 +
 +
 -
 +
 +
 -
1c5y
 A21
 +
 -
 +
 +
 +
 -
 +
 +
 -
1c5z
 A20
 +
 -
 +
 +
 +
 -
 -
 +
 -
1ejn
 A25
 +
 -
 +
 +
 +
 +
 +
 +
 -
1f5k
 A20
 +
 +
 +
 +
 +
 +
 +
 +
 c
1f5l
 A26
 +
 -
 +
 +
 +
 -
 -
 -
 c
1f92
 A28
 +
 -
 -
 -
 -
 -
 -
 -
 c
1fv9
 A27







c
1gi7
 A22
 +
 -
 +
 +
 +
 +
 +
 -
 +
1gi8
 A12
 +
 +
 +
 +
 +
 +
 +
 +
 +
1gi9
 A13
 +
 +
 +
 +
 +
 +
 +
 -
 +
1gj7
 A18
 +
 -
 -
 +
 +
 +
 +
 +
 -
1gj8
 A16
 +
 +
 +
 +
 +
 +
 +
 -
 +
1gj9
 A17
 +
 -
 -
 +
 +
 +
 +
 +
 -
1gja
 A24
 +
 -
 +
 +
 +
 +
 +
 +
 -
1gjb
 A14
 +
 +
 +
 +
 -
 -
 +
 -
 +
1gjc
 A14
 +
 +
 +
 +
 -
 -
 +
 +
 +
1gjd
 A23
 +
 -
 -
 +
 +
 +
 +
 +
 -
1o3p
 A15
 +
 +
 +
 +
 +
 +
 +
 -
 +
1o5a
 A04
 +
 +
 +
 +
 +
 -
 -
 -
 +
1o5b
 A19
 +
 -
 +
 +
 +
 -
 +
 +
 -
1o5c
 A17
 +
 +
 +
 +
 +
 -
 -
 +
 +
1owd
 A32
 -
 -
 -
 +
 +
 -
 -
 -
 -
1owe
 A33
 +
 -
 +
 +
 +
 -
 -
 +
 c
1owh
 A34
 +
 -
 +
 +
 +
 -
 -
 +
 c
1owi
 A35







-
1owj
 A36







-
1owk
 A37
 +
 -
 -
 +
 -
 -
 -
 +
 +
1sc8
 A41
 +
 -
 +
 -
 -
 -
 -
 +
 c
1sqa
 A29
 -
 -
 -
 -
 +
 -
 -
 -
 c
1sqo
 A30
 +
 -
 -
 +
 +
 -
 -
 +
 c
1sqt
 A31
 +
 -
 +
 +
 +
 -
 -
 +
 -
1u6q
 A38







-
1vj9
 A40
 +
 -
 +
 -
 -
 -
 -
 +
 c
1vja
 A39
 +
 -
 +
 -
 -
 -
 -
 +
 c
sum
30
 9
 24
 27
 25
 11
 17
 22
 10
11 citrate

The water molecules are not checked with electron density maps.
image: original pdb numbering
image: model numbering
coordinates: selected_water.pdb
pymol: uPA_selected_water.pse.gz

water site 1:
highly conserved

water site 2:
just in some structures with the same lead compound (1gi8, 1gjb, 1gjc, 1o3p, 1o5a, 1o5c)

water site 3:
short bond between residue Asp189 (model 201) and N1 and N2 of ligand

water site 4:
above the ring system of ligand and connected to Met(228)-N

water site 5:
connected to water 4, His99 (103), Ser-O214 (226)
if water 5 is missing, than His99 (103) in conformation A

water site 6:
variation in position, connecte to water 4 and 7, and Gly216 (228)

water site 7:
variation in position, connected to water 6, Arg217 (229)-NH and Gly219 (230)-N

water site 8:
connected to His57 (55)-O and Asp60A (59)

water site 9:
water or citrate or occupied by ligand, connected to Ser195 (207)-OH/N and Gly193 (205)-N


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update: 18.04.2005
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