Receptor
PDB id Resolution Class Description Source Keywords
2JDR 2.3 Å EC: 2.7.11.1 STRUCTURE OF PKB-BETA (AKT2) COMPLEXED WITH THE INHIBITOR A- 443654 HOMO SAPIENS WNT SIGNALING PATHWAY SERINE/THREONINE-PROTEIN KINASE KINASE TRANSFERASE ATP-BINDING PHOSPHORYLATION NUCLEOTIDE-BINDING ALTERNATIVE SPLICING
Ref.: A STRUCTURAL COMPARISON OF INHIBITOR BINDING TO PKB, PKA AND PKA-PKB CHIMERA J.MOL.BIOL. V. 367 882 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLY ARG PRO ARG THR THR SER PHE ALA GLU C:3;
Valid;
none;
submit data
1122.23 n/a O=C([...
L20 A:1480;
Valid;
none;
ic50 = 0.5 nM
397.472 C24 H23 N5 O Cc1c2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2JDR 2.3 Å EC: 2.7.11.1 STRUCTURE OF PKB-BETA (AKT2) COMPLEXED WITH THE INHIBITOR A- 443654 HOMO SAPIENS WNT SIGNALING PATHWAY SERINE/THREONINE-PROTEIN KINASE KINASE TRANSFERASE ATP-BINDING PHOSPHORYLATION NUCLEOTIDE-BINDING ALTERNATIVE SPLICING
Ref.: A STRUCTURAL COMPARISON OF INHIBITOR BINDING TO PKB, PKA AND PKA-PKB CHIMERA J.MOL.BIOL. V. 367 882 2007
Members (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 107 families.
1 1O6L - GLY ARG PRO ARG THR THR SER PHE ALA GLU n/a n/a
2 2JDO ic50 = 0.23 uM I5S C20 H22 Cl N3 O3 S c1cc2cnccc....
3 1O6K - GLY ARG PRO ARG THR THR SER PHE ALA GLU n/a n/a
4 3E88 Ki = 2 nM G96 C24 H27 N7 O3 CCn1c2cc(n....
5 2UW9 - GVP C20 H20 Cl N3 c1cc(ccc1c....
6 2JDR ic50 = 0.5 nM L20 C24 H23 N5 O Cc1c2cc(cc....
7 3D0E ic50 = 13 nM G93 C21 H27 N7 O3 CCn1c2c(cn....
8 2X39 ic50 = 30 nM X39 C19 H21 Cl N6 O c1cc(ccc1C....
9 3E87 - GLY ARG PRO ARG THR THR SER PHE ALA GLU n/a n/a
70% Homology Family (18)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 82 families.
1 1O6L - GLY ARG PRO ARG THR THR SER PHE ALA GLU n/a n/a
2 2JDO ic50 = 0.23 uM I5S C20 H22 Cl N3 O3 S c1cc2cnccc....
3 1O6K - GLY ARG PRO ARG THR THR SER PHE ALA GLU n/a n/a
4 3E88 Ki = 2 nM G96 C24 H27 N7 O3 CCn1c2cc(n....
5 2UW9 - GVP C20 H20 Cl N3 c1cc(ccc1c....
6 2JDR ic50 = 0.5 nM L20 C24 H23 N5 O Cc1c2cc(cc....
7 3D0E ic50 = 13 nM G93 C21 H27 N7 O3 CCn1c2c(cn....
8 2X39 ic50 = 30 nM X39 C19 H21 Cl N6 O c1cc(ccc1C....
9 3E87 - GLY ARG PRO ARG THR THR SER PHE ALA GLU n/a n/a
10 3QKK - SMH C28 H38 N2 O7 S CCOCCN(C[C....
11 4EKL ic50 = 5 nM 0RF C24 H32 Cl N5 O2 C[C@@H]1C[....
12 3CQW ic50 = 42 nM CQW C12 H11 Cl N6 c1c(c2c([n....
13 4GV1 ic50 = 3 nM 0XZ C21 H25 Cl N6 O2 c1cc(ccc1[....
14 3MVH ic50 = 0.5 nM WFE C20 H22 F2 N6 O CCc1c[nH]c....
15 3MV5 ic50 = 180 nM XFE C11 H15 N5 Cc1c[nH]c2....
16 3QKL - SMR C29 H40 N4 O5 S CCOCC[N@@]....
17 3QKM ic50 = 0.038 uM SM9 C31 H43 N5 O4 S CCOCCN(C[C....
18 3CQU ic50 = 151 nM CQU C15 H13 N7 Cc1[nH]c(n....
50% Homology Family (29)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 55 families.
1 2YM8 ic50 = 0.013 uM YM8 C19 H19 Cl N6 O C[C@H](CN(....
2 2CGW ic50 = 17.3 uM 3C3 C9 H15 N9 O2 CCCn1c(nc(....
3 3F9N ic50 = 1.3 uM 38M C29 H35 Cl N4 O2 S CCCC[C@@H]....
4 4JIK ic50 = 0.039 uM 1KO C18 H19 Cl N6 O c1cc(ccc1c....
5 4QYH ic50 = 0.0013 uM 3DX C22 H20 N6 CN1CCN(CC1....
6 2BRB Ki = 13.7 uM PFQ C20 H17 N3 O2 c1ccc(cc1)....
7 3PA3 ic50 = 1 nM C70 C18 H18 Cl N5 O S c1cc(ccc1c....
8 2YER ic50 = 0.02 uM TQ1 C15 H12 N4 O2 c1cc([nH]c....
9 3NLB ic50 = 35 nM 5BE C21 H28 N6 O Cc1c(c([nH....
10 3JVR Ki = 1.89 uM AGX C16 H13 Cl2 N3 O2 C[C@@H](c1....
11 2WMX ic50 = 0.86 uM ZY6 C17 H19 N5 O c1ccc(cc1)....
12 1SZM ic50 = 6.35 uM BI4 C27 H26 N4 O2 C[N@]1CCC[....
13 2HY0 ic50 = 0.65 nM 306 C26 H25 N5 O c1cc2c(cc1....
14 5LVO - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
15 4XX9 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
16 2XCK ic50 = 713 nM MH4 C29 H33 N9 O Cc1cc(ccn1....
17 2PE1 ic50 = 6 nM 517 C15 H14 N4 O2 CC(c1ccc[n....
18 3RWP Ki = 0.6 nM ABQ C24 H24 F N7 O2 CC(C)n1cc(....
19 3NAX - MP7 C28 H22 F2 N4 O4 c1ccc(cc1)....
20 3QCQ ic50 = 0.00000001 M 3Q0 C13 H15 N7 CCNc1cc(nc....
21 4A06 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
22 2UW9 - GVP C20 H20 Cl N3 c1cc(ccc1c....
23 2JDR ic50 = 0.5 nM L20 C24 H23 N5 O Cc1c2cc(cc....
24 3UBD Kd = 2.9 uM SL0 C25 H24 O12 CC1C(C(C(C....
25 4GUE Kd = 5.8 uM QCT C21 H20 O11 C[C@H]1[C@....
26 3G51 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
27 3QKK - SMH C28 H38 N2 O7 S CCOCCN(C[C....
28 4EKL ic50 = 5 nM 0RF C24 H32 Cl N5 O2 C[C@@H]1C[....
29 3WF5 ic50 = 81 nM FZ8 C17 H17 N7 c1ccc2c(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLY ARG PRO ARG THR THR SER PHE ALA GLU; Similar ligands found: 209
No: Ligand ECFP6 Tc MDL keys Tc
1 GLY ARG PRO ARG THR THR SER PHE ALA GLU 1 1
2 LEU PRO PHE GLU ARG ALA THR VAL MET 0.616352 0.888889
3 LEU PRO PHE GLU ARG ALA THR ILE MET 0.595092 0.876712
4 PHE TYR ALA PRO GLU PRO ILE THR SER LEU 0.572327 0.786667
5 GLY TYR GLU ASN PRO THR TYR LYS PHE PHE 0.56962 0.791667
6 ASP VAL GLN THR GLY ARG ARG PRO TYR GLU 0.56875 0.928571
7 VAL MET ALA PRO ARG THR LEU PHE LEU 0.559748 0.863014
8 DPN PRO DAR DTH NH2 0.551471 0.893939
9 ARG PRO MET THR PHE LYS GLY ALA LEU 0.535714 0.876712
10 LEU PRO PHE ASP ARG THR THR ILE MET 0.527273 0.890411
11 GLY GLU ARG THR ILE PRO ILE THR ARG GLU 0.526667 0.926471
12 GLY PHE ARG PRO 0.526316 0.848485
13 ALA ILE MET PRO ALA ARG PHE TYR PRO LYS 0.522988 0.792208
14 ARG ARG LEU PRO ILE PHE SER ARG LEU 0.522013 0.927536
15 LEU PRO PHE GLU LYS SER THR VAL MET 0.521472 0.819444
16 ALA ASN SER ARG PHE PRO THR SER ILE ILE 0.521472 0.942029
17 GLU ARG THR ILE PRO ILE THR ARG GLU 0.52027 0.926471
18 ILE GLY PRO GLY ARG ALA PHE TYR THR ILE 0.511628 0.863014
19 ILE ARG TYR PRO LYS THR PHE GLY TRP 0.511111 0.853333
20 DPN PRO DAR ILE NH2 0.507143 0.808824
21 SER SER ILE GLU PHE ALA ARG LEU 0.506579 0.753623
22 LEU SER SER PRO VAL THR LYS SER PHE 0.503226 0.852941
23 SER LEU SER ARG THR PRO ALA ASP GLY ARG 0.503145 0.969697
24 VAL PRO LEU ARG PRO MET THR TYR 0.503067 0.853333
25 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.502959 0.780822
26 ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 0.5 0.942029
27 PRO LYS ARG PRO THR THR LEU ASN LEU PHE 0.497076 0.914286
28 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 0.49697 0.753425
29 SER GLU ILE GLU PHE ALA ARG LEU 0.496689 0.73913
30 LYS ALA PRO ARG ALY GLN LEU ALA THR LYS 0.493827 0.885714
31 PHE ASN ARG PRO VAL 0.493151 0.882353
32 ALA GLN PHE SER ALA SER ALA SER ARG 0.492857 0.787879
33 ARG PRO GLY ASN PHE PHE GLN SER ARG PRO 0.491018 0.887324
34 LYS THR PHE PRO PRO THR GLU PRO LYS 0.490683 0.850746
35 GLN VAL PRO LEU ARG PRO MET THR TYR LYS 0.488764 0.866667
36 PHE ARG SER LYS GLY GLU GLU LEU PHE THR 0.4875 0.746479
37 SER ALA PRO ASP THR ARG PRO ALA 0.486842 0.941176
38 GLY ARG PHE ALA ALA ALA ILE ALA LYS 0.486301 0.720588
39 ARG PRO MET THR TYR LYS GLY ALA LEU 0.485714 0.842105
40 ARG GLN PHE GLY PRO ASP PHE PRO THR ILE 0.485714 0.915493
41 GLU GLU PHE GLY ARG ALA PHE SER PHE 0.48366 0.75
42 ILE SER PRO ARG THR LEU ASP ALA TRP 0.483516 0.90411
43 ARG PHE PRO LEU THR PHE GLY TRP 0.482955 0.876712
44 ARG PRO GLY ASN PHE LEU GLN SER ARG PRO 0.482759 0.901408
45 SER SER TYR ARG ARG PRO VAL GLY ILE 0.481928 0.902778
46 LYS PRO VAL LEU ARG THR ALA 0.480263 0.897059
47 ALA ASN SER ARG TYR PRO THR SER ILE ILE 0.479042 0.902778
48 DPN PRO ARG 0.477612 0.818182
49 ARG TYR PRO LEU THR PHE GLY TRP 0.475138 0.853333
50 ASP ARG VAL TYR ILE HIS PRO PHE 0.47486 0.815789
51 ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 0.474576 0.890411
52 ILE GLY PRO GLY ARG ALA PHE TYR ALA 0.473373 0.821918
53 GLY ASN PHE LEU GLN SER ARG 0.473333 0.768116
54 ILE THR ASP GLN VAL PRO PHE SER VAL 0.472727 0.855072
55 GLY PHE GLU PRO 0.470149 0.727273
56 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.469136 0.876712
57 ASN TYR THR PRO GLY PRO GLY THR ARG PHE 0.468571 0.902778
58 ARG PRO GLY ASN PHE LEU GLN SER SER PRO 0.468571 0.914286
59 TYR PRO LYS ARG ILE ALA 0.468354 0.84507
60 LEU PRO PHE ASP LYS SER THR ILE MET 0.468208 0.808219
61 ALA MET ALA PRO ARG THR LEU LEU LEU 0.467949 0.835616
62 PHE SER ALA PTR PRO SER GLU GLU ASP 0.467066 0.753247
63 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.466667 0.702703
64 LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.466292 0.942857
65 ILE ARG ALA ALA PRO PRO PRO LEU PHE 0.466258 0.830986
66 ARG SEP PRO VAL PHE SER 0.466258 0.835616
67 CYS THR PRO SER ARG 0.465278 0.910448
68 DPN PRO DAR CYS NH2 0.464789 0.791045
69 GLY LEU LEU GLY SER PRO VAL ARG ALA 0.464516 0.882353
70 GLN ASN GLY PTR GLU ASN PRO THR TYR 0.462963 0.75
71 ASN ARG PRO VAL TYR ILE PRO ARG PRO PRO 0.462963 0.833333
72 ARG PRO GLY ASN PHE LEU GLN SER ARG LEU 0.462857 0.914286
73 ARG VAL ALA SER PRO THR SER GLY VAL 0.461538 0.940298
74 SER PRO LYS ARG ILE ALA 0.46 0.882353
75 ARG ARG ARG GLU ARG SER PRO THR ARG 0.458065 0.954545
76 ALA ARG THR GLU LEU TYR ARG SER LEU 0.458065 0.760563
77 ARG LEU TYR GLN ASN PRO THR THR TYR ILE 0.457143 0.853333
78 ALA PRO ASP THR ARG PRO ALA PRO 0.456954 0.926471
79 PHE PRO THR LYS ASP VAL ALA LEU 0.45679 0.838235
80 ALA ASN SER ARG TRP PRO THR THR ARG LEU 0.45679 0.888889
81 ALA PRO ASP THR ARG PRO 0.456376 0.926471
82 HIS HIS ALA SER PRO ARG LYS 0.454545 0.842857
83 LEU PRO PHE ASP LYS THR THR ILE MET 0.452941 0.780822
84 GLY SER ASP PRO PHE LYS 0.452703 0.848485
85 SER ASN TRP SER HIS PRO GLN PHE GLU LYS 0.452514 0.791667
86 GLU THR VAL ARG PHE GLN SER ASP 0.45 0.791045
87 ARG PHE PRO LEU THR PHE GLY TRP CYS PHE 0.449735 0.878378
88 ASN GLY TYR GLU ASN PRO THR TYR LYS 0.449704 0.805556
89 ARG MET PHE PRO ASN ALA PRO TYR LEU 0.448864 0.810127
90 SER ARG ASP HIS SER ARG THR PRO MET 0.448276 0.878378
91 PRO ALA PRO PHE ALA SER ALA 0.448052 0.808824
92 PHE GLN PRO GLN ASN GLY GLN PHE ILE 0.447853 0.774648
93 ARG PRO GLN VAL PRO LEU ARG PRO MET 0.447853 0.794521
94 ARG PRO ARG PRO ASP ASP LEU GLU ILE 0.447205 0.842857
95 LEU GLU LYS ALA ARG GLY SER THR TYR 0.446429 0.788732
96 PHE LEU PRO SER ASP PHE PHE PRO SER VAL 0.44586 0.816901
97 ARG SER ALA SEP GLU PRO SER LEU 0.445783 0.851351
98 LEU LEU PHE GLY LYS PRO VAL TYR VAL 0.444444 0.716216
99 ARG PRO LYS ARG ILE ALA 0.443709 0.838235
100 GLY TYR GLN ASP TYR GLU PRO GLU ALA 0.443709 0.753623
101 LEU GLN ARG VAL LEU SEP ALA PRO PHE 0.443114 0.813333
102 ARG VAL LEU PHE GLU ALA MET 0.443038 0.666667
103 PHE ASN PHE PRO GLN ILE THR 0.443038 0.802817
104 ASN TYR THR PRO GLY PRO GLY ILE ARG PHE 0.441989 0.864865
105 LYS LEU PRO ALA GLN PHE TYR ILE LEU 0.44186 0.72973
106 LEU PHE GLY TYR PRO VAL TYR VAL 0.441718 0.726027
107 THR PRO THR ARG ASP VAL ALA THR SER PRO 0.441558 0.940298
108 GLY THR SER SER PRO SER ALA ASP 0.441379 0.848485
109 ARG PRO PRO GLY PHE SER PRO PHE ALA 0.440476 0.898551
110 LEU LEU PHE GLY PHE PRO VAL TYR VAL 0.440476 0.726027
111 LYS GLN GLU PRO GLN GLU ILE ASP PHE 0.440476 0.779412
112 LEU LEU PHE GLY TYR PRO VAL TYR VAL 0.440476 0.726027
113 LYS PRO PHE PTR VAL ASN VAL GLU PHE 0.44 0.721519
114 GLU PRO GLY GLY SER ARG 0.439189 0.909091
115 ALA PRO GLN PRO ALA PRO GLU ASN ALA TYR 0.439024 0.802817
116 5JP PRO LYS ARG ILE ALA 0.43871 0.857143
117 GLU ALA ASP PRO THR GLY HIS SER TYR 0.438202 0.833333
118 ALA ASN SER ARG VAL PRO THR SER ILE ILE 0.436709 0.898551
119 PHE SER HIS PRO GLN ASN THR 0.436364 0.857143
120 ARG TYR PRO LEU THR LEU GLY TRP CYS PHE 0.435897 0.855263
121 ASN PRO ARG ALA MET GLN ALA LEU LEU 0.434783 0.794521
122 ARG VAL SER PRO SER THR SER TYR THR PRO 0.434211 0.8
123 GLY VAL VAL ALA SER GLN PRO ALA ARG VAL 0.434211 0.820895
124 ASN ARG PRO ILE LEU SER LEU 0.433121 0.885714
125 ALA ASN SER ARG ALA PRO THR SER ILE ILE 0.432927 0.9
126 GLY ASN TYR SER PHE TYR ALA LEU 0.432432 0.608108
127 ARG VAL ALA SEP PRO THR SER GLY VAL 0.431138 0.863014
128 SER HIS PRO ARG PRO ILE ARG VAL 0.431138 0.875
129 ACE ARG THR PRO SEP LEU PRO THR 60H 0.431034 0.807692
130 SER SER LEU GLU ASN PHE ARG ALA TYR VAL 0.430233 0.716216
131 ALA ASN SER ARG ALY PRO THR SER ILE ILE 0.430233 0.901408
132 ARG GLN ALA SEP ILE GLU LEU PRO SER MET 0.430108 0.797468
133 ARG TYR PRO LEU THR PHE GLY TRP CYS PHE 0.426396 0.842105
134 PHE ALA GLY LEU ARG GLN ALA VAL THR GLN 0.425676 0.720588
135 ALA THR VAL ARG THR TYR SER CYS 0.424837 0.732394
136 ALA ASN SER ARG TRP PRO THR SER ALY ILE 0.424581 0.878378
137 GLU SER ASP PRO ILE VAL ALA GLN TYR 0.424419 0.819444
138 SER SER PHE TYR PRO SEP ALA GLU GLY 0.424242 0.727273
139 PRO SER ILE ASP ARG SER THR LYS PRO 0.423529 0.927536
140 ASP PHE GLU GLU ILE PRO GLU GLU TYS 0.423529 0.647059
141 TYR LEU GLU PRO ALA PRO VAL THR ALA 0.423313 0.791667
142 ALA ILE ALA TYR PHE ILE PRO ASP GLN ALA 0.421687 0.726027
143 GLN LEU SER PRO PHE PRO PHE ASP LEU 0.421687 0.828571
144 GLN PRO PRO VAL PRO PRO GLN ARG PRO MET 0.421687 0.794521
145 ALA ARG SER HIS SEP TYR PRO ALA 0.421348 0.820513
146 GLU GLU PRO THR VAL ILE LYS LYS TYR 0.421053 0.777778
147 GLN ALA SER TPO PRO ARG NIT 0.420455 0.802469
148 ALA ARG MLZ SER ALA PRO ALA THR 0.420382 0.859155
149 SER THR SEP PRO THR PHE ASN LYS 0.41954 0.821918
150 ALA TRP ARG HIS PRO GLN PHE GLY GLY 0.419355 0.805556
151 GLU VAL ALA PRO PRO GLU TYR HIS ARG LYS 0.418848 0.837838
152 ALA LEU PRO HIS ALA ILE LEU ARG LEU 0.418605 0.791667
153 PRO GLU ALA THR ALA PRO PRO GLU GLU 0.417722 0.808824
154 PHE LEU TRP GLY PRO ARG ALA LEU VAL 0.417582 0.808219
155 GLU PHE SER PRO 0.417266 0.80303
156 PHE PRO ARG PRO TRP LEU HIS GLY LEU 0.417112 0.810811
157 TYR LEU GLU PRO GLY PRO VAL THR VAL 0.416667 0.816901
158 VAL VAL ARG PRO GLY SER LEU ASP LEU PRO 0.416185 0.913043
159 VAL ORN LEU DPN PRO VAL ORN LEU DPN PRO 0.416149 0.690141
160 ASN TRP SER HIS PRO GLN PHE GLU LYS 0.415663 0.728571
161 ALA THR ARG ASN PHE SER GLY 0.415584 0.791045
162 VAL MET ALA PRO ARG ALA LEU LEU LEU 0.415094 0.767123
163 TYR LEU GLU PRO GLY PRO VAL THR ALA 0.414201 0.816901
164 ARG PRO GLY ASN PHE LEU GLN ASN ARG PRO 0.414013 0.681159
165 GLY LEU LEU GLY SEP PRO VAL ARG ALA 0.413174 0.810811
166 PHE ALA PRO GLY PHE PHE PRO TYR LEU 0.413174 0.743243
167 THR PRO ARG ARG SER MLZ SER ALA 0.412903 0.873239
168 ACE LEU TYR ALA SER SER ASN PRO ALA PTR 0.412791 0.740741
169 PRO PRO ARG PRO ILE TYR ASN ARG ASN 0.412791 0.875
170 LEU PRO GLU THR GLY 0.412587 0.794118
171 PRO GLU PRO THR ALA PRO PRO GLU GLU 0.4125 0.808824
172 ALA ALA ARG KCR SER ALA PRO ALA 0.412121 0.897059
173 ALA ASN SER ARG TRP PRO THR SER FAK ILE 0.411458 0.857143
174 SER ASP ILE LEU PHE PRO ALA ASP SER 0.411043 0.826087
175 GLN ASN GLY PTR VAL ASN PRO THR TYR 0.410714 0.734177
176 PHE LEU ARG GLY ARG ALA TYR VAL LEU 0.410714 0.684932
177 MET SER LEU PRO GLY ARG TRP LYS PRO LYS 0.410526 0.855263
178 TYR GLN PHE GLY PRO ASP PHE PRO ILE ALA 0.40884 0.780822
179 PHE TYR ARG ALA LEU MET 0.408805 0.61039
180 GLY ASP GLU VAL LYS VAL PHE ARG 0.408805 0.746269
181 MET HIS PRO ALA GLN THR SER GLN TRP 0.408602 0.802632
182 GLU LYS PRO SER SER SER 0.408451 0.818182
183 ALA ASN SER ARG TRP PRO THR SER 2KK ILE 0.408163 0.846154
184 ALA GLY SER VAL GLU GLN TPO PRO LYS LYS 0.408046 0.797297
185 LYS PRO ILE VAL GLN TYR ASP ASN PHE 0.407821 0.76
186 GLY ARG PHE GLN VAL THR 0.406897 0.671642
187 LYS LEU TYR GLN ASN PRO THR THR TYR ILE 0.40678 0.76
188 SER GLU CYS THR THR PRO CYS 0.406667 0.835821
189 ARG GLY PHE ALA LEU M3L SER THR HIS GLY 0.406593 0.794872
190 ACE GLN GLU ARG GLU VAL PRO CYS 0.40625 0.826087
191 GLU GLY GLN PTR GLN PRO GLN PRO ALA 0.405882 0.733333
192 GLY HIS ARG PRO 0.405405 0.811594
193 ACE ALA ARG THR GLU VAL TYR NH2 0.405229 0.728571
194 GLY ALA ALA ARG ALA GLU VAL TYR LEU ARG 0.404762 0.694444
195 PHE PRO ARG 0.404255 0.787879
196 VAL ALA PHE ARG SER 0.40411 0.701493
197 ILE MET ASP GLN VAL PRO PHE SER VAL 0.403409 0.794521
198 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 0.403226 0.7375
199 THR PRO PRO SER PRO PHE 0.402685 0.835821
200 ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU 0.402235 0.743243
201 ASP PHE GLU GLU ILE PRO GLY GLU TYS LEU 0.402235 0.651163
202 ALA ASN SER ARG TRP PRO THR SER 2KP ILE 0.40201 0.846154
203 THR LYS PRO ARG 0.40146 0.80303
204 ACE ARG THR PRO SEP LEU PRO THR PIP 0.401198 0.794872
205 LYS PRO PHE PTR VAL ASN VAL NH2 0.401163 0.708861
206 ILE PRO ALA TYR GLY VAL LEU THR ILE 0.401163 0.777778
207 ALA THR PRO PHE GLN GLU 0.4 0.787879
208 SER ALA GLU PRO VAL PRO LEU GLN LEU 0.4 0.826087
209 ALA GLU THR PHE 0.4 0.606061
Ligand no: 2; Ligand: L20; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 L20 1 1
2 SS3 0.67033 0.954545
3 SS4 0.634409 0.875
4 SS5 0.544643 0.84
5 4EA 0.524752 0.8
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2JDR; Ligand: GLY ARG PRO ARG THR THR SER PHE ALA GLU; Similar sites found: 232
This union binding pocket(no: 1) in the query (biounit: 2jdr.bio1) has 53 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1HXD BTN 0.03543 0.40035 1.24611
2 2IO8 ADP 0.002368 0.44612 1.46199
3 1Q8Q MAN MMA 0.04982 0.41959 1.5873
4 4GYI ADP 0.0000203 0.58507 1.75439
5 5MRH Q9Z 0.004291 0.47272 1.75439
6 3TII ANP 0.004962 0.4645 1.75439
7 2VQD AP2 0.002088 0.45891 2.04678
8 4ISS TAR 0.01473 0.45188 2.04678
9 2QHS OCA 0.04261 0.41409 2.1097
10 3VPC ADP 0.0005224 0.4833 2.12766
11 4R78 AMP 0.00007149 0.57013 2.26537
12 1ZP9 ATP 0.000003128 0.61984 2.32558
13 4BG4 ADP 0.04217 0.40198 2.33918
14 2QHV OC9 0.04043 0.41894 2.38095
15 3ZJX BOG 0.01471 0.44956 2.42215
16 5GZ9 ANP 0.0000003558 0.40702 2.62295
17 5I35 ANP 0.000002301 0.6192 2.63158
18 3DNT ATP 0.002338 0.44637 2.63158
19 2R5V HHH 0.01639 0.43275 2.63158
20 1F52 ADP 0.02383 0.42417 2.63158
21 3TM0 ANP 0.0005517 0.45181 2.6616
22 3TM0 B31 0.0006781 0.44544 2.6616
23 1TQP ATP 0.000001041 0.59677 2.83688
24 5UQD AKG 0.01743 0.44457 2.92398
25 5IQD RIO 0.00001548 0.41679 2.95082
26 5IQD GNP 0.00001308 0.41605 2.95082
27 4ZNO SUC 0.03386 0.40533 2.98507
28 2V2G BEZ 0.03095 0.43296 3.00429
29 1P0Z FLC 0.04987 0.41756 3.05344
30 1PK8 ATP 0.001292 0.4546 3.21637
31 5NCY 8TK 0.009283 0.40698 3.21637
32 3TDV GDP 0.000005767 0.59249 3.26797
33 1TZD ADP 0.0005878 0.52244 3.27273
34 3WVR AMP 0.0009944 0.49164 3.50877
35 5T96 79J 0.03085 0.43048 3.50877
36 5E5U MLI 0.02674 0.44989 3.51759
37 1QKQ MAN 0.01442 0.44051 3.52113
38 4OCV ANP 0.0002145 0.51036 3.80117
39 3VOT ADP 0.002205 0.48338 3.80117
40 3I0O ADP 0.00046 0.51982 3.83481
41 4ZS4 ATP 0.00004549 0.54286 3.90879
42 4GK9 MAN BMA MAN MAN MAN 0.01784 0.43529 3.94265
43 5LJI FMN 0.04865 0.40163 4.05405
44 4JUI EGR 0.04369 0.42172 4.09357
45 5IQZ MAL 0.04327 0.41373 4.09357
46 4IAW LIZ 0.04901 0.41076 4.25532
47 4FE2 AIR 0.005352 0.46274 4.31373
48 4FE2 ADP 0.01129 0.44128 4.31373
49 5E89 TD2 0.01212 0.43233 4.31655
50 4DFU QUE 0.009362 0.45881 4.34783
51 5TT6 ATP 0.02002 0.4095 4.38596
52 4U98 ACP 0.001493 0.47808 4.40529
53 2AQX ATP 0.00378 0.44332 4.49827
54 1W2D ADP 0.002012 0.48551 4.5283
55 1W2D 4IP 0.003139 0.42913 4.5283
56 1EHI ADP 0.002639 0.45776 4.67836
57 2CYB TYR 0.04847 0.41619 4.95356
58 3X01 AMP 0.001854 0.49967 4.97076
59 5LKC FUC GLA A2G 0.0468 0.41439 5.19481
60 4QM9 CYS 0.0434 0.42108 5.20231
61 4WOE ADP 0.02474 0.43589 5.26316
62 4CC6 L5Y 0.01631 0.44082 5.34591
63 3CF6 SP1 0.02709 0.41463 5.38922
64 2GC0 PAN 0.02412 0.4141 5.85106
65 3EFS BTN 0.01649 0.41922 6.00858
66 3KYG 5GP 5GP 0.0267 0.40901 6.1674
67 4OUJ LBT 0.008978 0.45008 6.18893
68 3W0O HY0 0.0001292 0.48382 6.30372
69 3W0O ADP 0.0001292 0.48382 6.30372
70 1IA9 ANP 0.00002909 0.55223 6.42857
71 4NS0 PIO 0.01861 0.44648 6.76692
72 4LH7 1X8 0.004548 0.47533 6.81115
73 4WW7 AMP 0.0000003569 0.40397 6.89655
74 5DKK FMN 0.03655 0.40233 6.89655
75 2YRX AMP 0.008082 0.4628 7.01754
76 5VAD PRO 0.03254 0.41369 7.01754
77 5HWK BEZ 0.04556 0.41945 7.08333
78 4PU5 ANP 0.0006508 0.47501 7.30994
79 2YW2 ATP 0.001688 0.46329 7.30994
80 2NUO BGC 0.01184 0.42187 7.37705
81 2NU5 NAG 0.03529 0.40021 7.37705
82 1A8U BEZ 0.04215 0.42058 7.58123
83 4AZT LY2 0.002226 0.48316 7.60234
84 2JK0 ASP 0.03739 0.42725 7.69231
85 1YRO UDP 0.03742 0.41158 8.74126
86 4ANW O92 0.001831 0.43091 8.77193
87 1Z2P ACP 0.005372 0.40155 9.25926
88 1Z2P I3S 0.005372 0.40155 9.25926
89 2GQS C2R 0.002733 0.46913 9.2827
90 2GQS ADP 0.006356 0.44645 9.2827
91 4DSU BZI 0.04209 0.42014 9.52381
92 2XG5 EC2 0.02632 0.42039 9.63303
93 2XG5 EC5 0.02632 0.42039 9.63303
94 2PR5 FMN 0.03334 0.40429 9.84848
95 1LFO OLA 0.0144 0.42208 10.1562
96 4OFG PCG 0.04086 0.41171 10.4167
97 4Z4P SAH 0.03538 0.40872 10.8434
98 1OLM VTQ 0.01599 0.40155 11.4035
99 4NG2 OHN 0.01564 0.4067 11.5044
100 1UPR 4IP 0.04802 0.42108 12.1951
101 1FWV SGA MAG FUC 0.007333 0.45801 13.4328
102 4OAV ACP 0.0000001162 0.68427 13.7427
103 5LXT ACP 0.002317 0.44981 13.986
104 3HAV ATP 0.000687 0.52411 15.7191
105 5EFW FMN 0.03978 0.40052 16.5517
106 4IZY 1J2 0.000002671 0.5959 16.6667
107 4UX9 ANP 0.000000006042 0.72114 17.2515
108 4XMF HSM 0.003956 0.46317 17.9348
109 4XH0 ADP 0.000005611 0.64478 18.7134
110 4H3P ANP 0.00000002633 0.70761 19.0058
111 5BVE 4VG 0.0000002104 0.51391 19.0058
112 4H3Q ANP 0.00000003683 0.43233 19.0058
113 5MY8 RXZ 0.0000006918 0.40388 19.2982
114 3VHE 42Q 0.0000005593 0.58154 19.883
115 1BHX ASP PHE GLU GLU ILE 0.00516 0.46359 20
116 4WOV 3SM 0.0004586 0.51422 24.6057
117 5KO1 6UY 0.000001035 0.6366 25.4417
118 4FL3 ANP 0.00000002634 0.42461 26.3158
119 5HCY 60D 0.000000005456 0.52331 26.8882
120 5LPZ ADP 0.000000025 0.70872 27.4096
121 3H9R TAK 0.00002119 0.59904 27.5758
122 3UIM ANP 0.00000004019 0.69858 28.2209
123 3C1X CKK 0.0001332 0.5109 28.3626
124 4CRL C1I 0.0000008833 0.43449 28.3626
125 5LXC 7AA 0.00000000434 0.40116 28.655
126 3PP0 03Q 0.000001151 0.58374 28.6982
127 1OPK P16 0.00003544 0.50327 28.9474
128 2WU6 DKI 0.00000005694 0.42237 28.9474
129 4CLI 5P8 0.00001639 0.42788 29.052
130 4E93 GUI 0.00000005534 0.61215 29.2398
131 3E7O 35F 0.000004297 0.40651 29.2398
132 3LXK MI1 0.0000001573 0.43339 29.3578
133 5X8I SQZ 0.0000000008307 0.78144 29.8246
134 4KBA 1QM 0.00006596 0.50347 29.8246
135 3E8N VRA 0.0000003267 0.5356 29.912
136 3E8N ATP 0.0000003267 0.5356 29.912
137 5EOB 5QQ 0.00002043 0.44528 30.094
138 4QTB 38Z 0.0000001251 0.44306 30.117
139 3KRL KRL 0.000008348 0.56681 30.1493
140 4YLL 4E3 0.00000001888 0.43763 30.7018
141 3PLS ANP 0.00000000845 0.74139 30.8725
142 4E1Z 0MX 0.0000002941 0.62775 30.9278
143 3VRY B43 0.00001939 0.53507 31.2866
144 4P5Z Q7M 0.00003101 0.40711 31.2866
145 5NKB 8ZT 0.000007463 0.49815 31.3725
146 3LXN MI1 0.00000000477 0.72601 31.4465
147 3GQI ACP 0.000000005231 0.74214 31.5951
148 2PVF ACP 0.0000000005477 0.80102 31.7365
149 5HX8 66P 0.0000003985 0.60373 31.7881
150 2OO8 RAJ 0.0003132 0.49363 32.1767
151 4K33 ACP 0.00000001157 0.41729 32.3077
152 5T8O 76Z 0.00000001754 0.69923 32.3782
153 1VJY 460 0.00000004505 0.46113 32.6733
154 1OUK 084 0.0000296 0.4724 32.7485
155 2H8H H8H 0.0000005701 0.64193 33.0409
156 1Y57 MPZ 0.0000003728 0.62304 33.0409
157 5EFQ ADP 0.00000004733 0.40091 33.0409
158 4GJ3 0XP 0.00000003726 0.62452 33.1126
159 3SRV S19 0.000000005633 0.40691 33.213
160 3NW7 LGV 0.00009033 0.41126 33.2248
161 3KRR DQX 0.000001115 0.49378 33.5593
162 4U0I 0LI 0.0001447 0.47839 33.6508
163 3RI1 3RH 0.000000008761 0.46043 33.8658
164 4Y93 746 0.000007242 0.55393 33.9181
165 1U5R ATP 0.00445 0.40263 33.9181
166 4F4P 0SB 0.00000004643 0.5316 34.0659
167 5UR1 YY9 0.00005058 0.41253 34.0836
168 2XVD AS6 0.000000706 0.58238 34.106
169 3EKK GS2 0.000004867 0.51867 34.202
170 4ASE AV9 0.00001907 0.52647 34.2105
171 3BU5 ATP 0.0000000141 0.41132 34.3137
172 5JFS 6K0 0.00004253 0.40737 35.0649
173 1BYG STU 0.00000007059 0.70418 35.6115
174 4YZC STU 0.0000001619 0.46164 35.6725
175 5JKG 6LF 0.00003031 0.40627 35.6913
176 1JPA ANP 0.00001234 0.6269 35.8974
177 4EWH T77 0.00000003249 0.64464 36
178 5N87 N66 0.0000001322 0.46113 36.1022
179 4YMJ 4EJ 0.000002653 0.66334 36.1842
180 5USZ SKE 0.000004795 0.55206 36.3322
181 4BHN BH9 0.0000001346 0.65733 36.5269
182 5TA6 79D 0.0000199 0.52568 36.5497
183 4TWP AXI 0.000005237 0.44229 36.9004
184 1U59 STU 0.000000003366 0.75156 36.9338
185 2A19 ANP 0.0000001428 0.70752 36.9718
186 4AG8 AXI 0.000003345 0.52863 37.0253
187 2G30 ALA ALA PHE 0.008529 0.43557 37.5
188 2JLD AG1 0.0000000005434 0.51105 38.0117
189 4NM5 ADP 0.00000009906 0.41921 38.0117
190 3ALN ANP 0.0000003127 0.4025 38.2263
191 3F7Z 34O 0.00000001981 0.40415 38.3041
192 4CSV STI 0.00009201 0.5138 38.5455
193 4AT3 LTI 0.0001281 0.48397 38.796
194 2X2M X2M 0.00000001028 0.42663 38.8535
195 2B9I ADP 0.00000003573 0.70109 38.8889
196 3SXF BK5 0.0000002926 0.57373 38.8889
197 2B9H ADP 0.00000005625 0.40928 38.8889
198 2B9J ADP 0.00000004312 0.4 38.8889
199 5FBN 5WF 0.000007916 0.41624 39.1144
200 3G5D 1N1 0.00000009512 0.51696 39.1608
201 3IGO ANP 0.00000007949 0.66077 39.1813
202 3HZT J60 0.0000007444 0.66915 39.4737
203 2HK5 1BM 0.0000002606 0.40106 39.6296
204 4QMN DB8 0.000000563 0.55832 40
205 5AWM ANP 0.0000006544 0.67214 40.0585
206 5TO8 7FM 0.00003084 0.41123 40.0709
207 3BZ3 YAM 0.00003781 0.44288 40.5797
208 4WHZ 3NL 0.000001423 0.50404 40.6433
209 3SLS ANP 0.0000001797 0.41179 40.7895
210 3TTI KBI 0.0000001363 0.61805 40.9357
211 3GC0 AMP 0.000003927 0.62241 41.3374
212 2VZ6 FEF 0.0000002551 0.68454 41.5335
213 4XLI 1N1 0.000001174 0.63387 41.791
214 5H2U 1N1 0.0001917 0.51765 41.9476
215 3GC8 B45 0.000001868 0.59704 42.1622
216 5DA3 58V 0.00001141 0.60573 42.2642
217 5BYZ 4WE 0.000000009521 0.47508 42.6901
218 5VC5 96M 0.000001211 0.41035 42.9066
219 2ZV2 609 0.0000001003 0.71573 44.9664
220 2BPM 529 0.00000000289 0.59309 44.9838
221 5UOX 8GY 0.00000006784 0.66397 45.0185
222 5JGA 6KC 0.0000001692 0.59268 45.3968
223 4FG8 ATP 0.00000002092 0.42275 45.7143
224 4CFU 2WC 0.00000006767 0.70512 45.8746
225 2XMY CDK 0.000001415 0.4916 45.9732
226 4BCN T9N 0.0000001171 0.70223 46
227 1V0O INR 0.0000001205 0.66718 46.1806
228 2F57 23D 0.00001449 0.58574 46.3722
229 2WEI VGG 0.000009805 0.59442 46.6899
230 1PHK ATP 0.0000000003105 0.44553 47.9866
231 5HQ0 LZ9 0.0000001264 0.40516 48.0132
232 4WNK 453 0.000000001289 0.48784 49.1228
Pocket No.: 2; Query (leader) PDB : 2JDR; Ligand: L20; Similar sites found: 232
This union binding pocket(no: 2) in the query (biounit: 2jdr.bio1) has 53 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1HXD BTN 0.03543 0.40035 1.24611
2 2IO8 ADP 0.002368 0.44612 1.46199
3 1Q8Q MAN MMA 0.04982 0.41959 1.5873
4 4GYI ADP 0.0000203 0.58507 1.75439
5 5MRH Q9Z 0.004291 0.47272 1.75439
6 3TII ANP 0.004962 0.4645 1.75439
7 2VQD AP2 0.002088 0.45891 2.04678
8 4ISS TAR 0.01473 0.45188 2.04678
9 2QHS OCA 0.04261 0.41409 2.1097
10 3VPC ADP 0.0005224 0.4833 2.12766
11 4R78 AMP 0.00007149 0.57013 2.26537
12 1ZP9 ATP 0.000003128 0.61984 2.32558
13 4BG4 ADP 0.04217 0.40198 2.33918
14 2QHV OC9 0.04043 0.41894 2.38095
15 3ZJX BOG 0.01471 0.44956 2.42215
16 5GZ9 ANP 0.0000003558 0.40702 2.62295
17 5I35 ANP 0.000002301 0.6192 2.63158
18 3DNT ATP 0.002338 0.44637 2.63158
19 2R5V HHH 0.01639 0.43275 2.63158
20 1F52 ADP 0.02383 0.42417 2.63158
21 3TM0 ANP 0.0005517 0.45181 2.6616
22 3TM0 B31 0.0006781 0.44544 2.6616
23 1TQP ATP 0.000001041 0.59677 2.83688
24 5UQD AKG 0.01743 0.44457 2.92398
25 5IQD RIO 0.00001548 0.41679 2.95082
26 5IQD GNP 0.00001308 0.41605 2.95082
27 4ZNO SUC 0.03386 0.40533 2.98507
28 2V2G BEZ 0.03095 0.43296 3.00429
29 1P0Z FLC 0.04987 0.41756 3.05344
30 1PK8 ATP 0.001292 0.4546 3.21637
31 5NCY 8TK 0.009283 0.40698 3.21637
32 3TDV GDP 0.000005767 0.59249 3.26797
33 1TZD ADP 0.0005878 0.52244 3.27273
34 3WVR AMP 0.0009944 0.49164 3.50877
35 5T96 79J 0.03085 0.43048 3.50877
36 5E5U MLI 0.02674 0.44989 3.51759
37 1QKQ MAN 0.01442 0.44051 3.52113
38 4OCV ANP 0.0002145 0.51036 3.80117
39 3VOT ADP 0.002205 0.48338 3.80117
40 3I0O ADP 0.00046 0.51982 3.83481
41 4ZS4 ATP 0.00004549 0.54286 3.90879
42 4GK9 MAN BMA MAN MAN MAN 0.01784 0.43529 3.94265
43 5LJI FMN 0.04865 0.40163 4.05405
44 4JUI EGR 0.04369 0.42172 4.09357
45 5IQZ MAL 0.04327 0.41373 4.09357
46 4IAW LIZ 0.04901 0.41076 4.25532
47 4FE2 AIR 0.005352 0.46274 4.31373
48 4FE2 ADP 0.01129 0.44128 4.31373
49 5E89 TD2 0.01212 0.43233 4.31655
50 4DFU QUE 0.009362 0.45881 4.34783
51 5TT6 ATP 0.02002 0.4095 4.38596
52 4U98 ACP 0.001493 0.47808 4.40529
53 2AQX ATP 0.00378 0.44332 4.49827
54 1W2D ADP 0.002012 0.48551 4.5283
55 1W2D 4IP 0.003139 0.42913 4.5283
56 1EHI ADP 0.002639 0.45776 4.67836
57 2CYB TYR 0.04847 0.41619 4.95356
58 3X01 AMP 0.001854 0.49967 4.97076
59 5LKC FUC GLA A2G 0.0468 0.41439 5.19481
60 4QM9 CYS 0.0434 0.42108 5.20231
61 4WOE ADP 0.02474 0.43589 5.26316
62 4CC6 L5Y 0.01631 0.44082 5.34591
63 3CF6 SP1 0.02709 0.41463 5.38922
64 2GC0 PAN 0.02412 0.4141 5.85106
65 3EFS BTN 0.01649 0.41922 6.00858
66 3KYG 5GP 5GP 0.0267 0.40901 6.1674
67 4OUJ LBT 0.008978 0.45008 6.18893
68 3W0O HY0 0.0001292 0.48382 6.30372
69 3W0O ADP 0.0001292 0.48382 6.30372
70 1IA9 ANP 0.00002909 0.55223 6.42857
71 4NS0 PIO 0.01861 0.44648 6.76692
72 4LH7 1X8 0.004548 0.47533 6.81115
73 4WW7 AMP 0.0000003569 0.40397 6.89655
74 5DKK FMN 0.03655 0.40233 6.89655
75 2YRX AMP 0.008082 0.4628 7.01754
76 5VAD PRO 0.03254 0.41369 7.01754
77 5HWK BEZ 0.04556 0.41945 7.08333
78 4PU5 ANP 0.0006508 0.47501 7.30994
79 2YW2 ATP 0.001688 0.46329 7.30994
80 2NUO BGC 0.01184 0.42187 7.37705
81 2NU5 NAG 0.03529 0.40021 7.37705
82 1A8U BEZ 0.04215 0.42058 7.58123
83 4AZT LY2 0.002226 0.48316 7.60234
84 2JK0 ASP 0.03739 0.42725 7.69231
85 1YRO UDP 0.03742 0.41158 8.74126
86 4ANW O92 0.001831 0.43091 8.77193
87 1Z2P ACP 0.005372 0.40155 9.25926
88 1Z2P I3S 0.005372 0.40155 9.25926
89 2GQS C2R 0.002733 0.46913 9.2827
90 2GQS ADP 0.006356 0.44645 9.2827
91 4DSU BZI 0.04209 0.42014 9.52381
92 2XG5 EC2 0.02632 0.42039 9.63303
93 2XG5 EC5 0.02632 0.42039 9.63303
94 2PR5 FMN 0.03334 0.40429 9.84848
95 1LFO OLA 0.0144 0.42208 10.1562
96 4OFG PCG 0.04086 0.41171 10.4167
97 4Z4P SAH 0.03538 0.40872 10.8434
98 1OLM VTQ 0.01599 0.40155 11.4035
99 4NG2 OHN 0.01564 0.4067 11.5044
100 1UPR 4IP 0.04802 0.42108 12.1951
101 1FWV SGA MAG FUC 0.007333 0.45801 13.4328
102 4OAV ACP 0.0000001162 0.68427 13.7427
103 5LXT ACP 0.002317 0.44981 13.986
104 3HAV ATP 0.000687 0.52411 15.7191
105 5EFW FMN 0.03978 0.40052 16.5517
106 4IZY 1J2 0.000002671 0.5959 16.6667
107 4UX9 ANP 0.000000006042 0.72114 17.2515
108 4XMF HSM 0.003956 0.46317 17.9348
109 4XH0 ADP 0.000005611 0.64478 18.7134
110 4H3P ANP 0.00000002633 0.70761 19.0058
111 5BVE 4VG 0.0000002104 0.51391 19.0058
112 4H3Q ANP 0.00000003683 0.43233 19.0058
113 5MY8 RXZ 0.0000006918 0.40388 19.2982
114 3VHE 42Q 0.0000005593 0.58154 19.883
115 1BHX ASP PHE GLU GLU ILE 0.00516 0.46359 20
116 4WOV 3SM 0.0004586 0.51422 24.6057
117 5KO1 6UY 0.000001035 0.6366 25.4417
118 4FL3 ANP 0.00000002634 0.42461 26.3158
119 5HCY 60D 0.000000005456 0.52331 26.8882
120 5LPZ ADP 0.000000025 0.70872 27.4096
121 3H9R TAK 0.00002119 0.59904 27.5758
122 3UIM ANP 0.00000004019 0.69858 28.2209
123 3C1X CKK 0.0001332 0.5109 28.3626
124 4CRL C1I 0.0000008833 0.43449 28.3626
125 5LXC 7AA 0.00000000434 0.40116 28.655
126 3PP0 03Q 0.000001151 0.58374 28.6982
127 1OPK P16 0.00003544 0.50327 28.9474
128 2WU6 DKI 0.00000005694 0.42237 28.9474
129 4CLI 5P8 0.00001639 0.42788 29.052
130 4E93 GUI 0.00000005534 0.61215 29.2398
131 3E7O 35F 0.000004297 0.40651 29.2398
132 3LXK MI1 0.0000001573 0.43339 29.3578
133 5X8I SQZ 0.0000000008307 0.78144 29.8246
134 4KBA 1QM 0.00006596 0.50347 29.8246
135 3E8N VRA 0.0000003267 0.5356 29.912
136 3E8N ATP 0.0000003267 0.5356 29.912
137 5EOB 5QQ 0.00002043 0.44528 30.094
138 4QTB 38Z 0.0000001251 0.44306 30.117
139 3KRL KRL 0.000008348 0.56681 30.1493
140 4YLL 4E3 0.00000001888 0.43763 30.7018
141 3PLS ANP 0.00000000845 0.74139 30.8725
142 4E1Z 0MX 0.0000002941 0.62775 30.9278
143 3VRY B43 0.00001939 0.53507 31.2866
144 4P5Z Q7M 0.00003101 0.40711 31.2866
145 5NKB 8ZT 0.000007463 0.49815 31.3725
146 3LXN MI1 0.00000000477 0.72601 31.4465
147 3GQI ACP 0.000000005231 0.74214 31.5951
148 2PVF ACP 0.0000000005477 0.80102 31.7365
149 5HX8 66P 0.0000003985 0.60373 31.7881
150 2OO8 RAJ 0.0003132 0.49363 32.1767
151 4K33 ACP 0.00000001157 0.41729 32.3077
152 5T8O 76Z 0.00000001754 0.69923 32.3782
153 1VJY 460 0.00000004505 0.46113 32.6733
154 1OUK 084 0.0000296 0.4724 32.7485
155 2H8H H8H 0.0000005701 0.64193 33.0409
156 1Y57 MPZ 0.0000003728 0.62304 33.0409
157 5EFQ ADP 0.00000004733 0.40091 33.0409
158 4GJ3 0XP 0.00000003726 0.62452 33.1126
159 3SRV S19 0.000000005633 0.40691 33.213
160 3NW7 LGV 0.00009033 0.41126 33.2248
161 3KRR DQX 0.000001115 0.49378 33.5593
162 4U0I 0LI 0.0001447 0.47839 33.6508
163 3RI1 3RH 0.000000008761 0.46043 33.8658
164 4Y93 746 0.000007242 0.55393 33.9181
165 1U5R ATP 0.00445 0.40263 33.9181
166 4F4P 0SB 0.00000004643 0.5316 34.0659
167 5UR1 YY9 0.00005058 0.41253 34.0836
168 2XVD AS6 0.000000706 0.58238 34.106
169 3EKK GS2 0.000004867 0.51867 34.202
170 4ASE AV9 0.00001907 0.52647 34.2105
171 3BU5 ATP 0.0000000141 0.41132 34.3137
172 5JFS 6K0 0.00004253 0.40737 35.0649
173 1BYG STU 0.00000007059 0.70418 35.6115
174 4YZC STU 0.0000001619 0.46164 35.6725
175 5JKG 6LF 0.00003031 0.40627 35.6913
176 1JPA ANP 0.00001234 0.6269 35.8974
177 4EWH T77 0.00000003249 0.64464 36
178 5N87 N66 0.0000001322 0.46113 36.1022
179 4YMJ 4EJ 0.000002653 0.66334 36.1842
180 5USZ SKE 0.000004795 0.55206 36.3322
181 4BHN BH9 0.0000001346 0.65733 36.5269
182 5TA6 79D 0.0000199 0.52568 36.5497
183 4TWP AXI 0.000005237 0.44229 36.9004
184 1U59 STU 0.000000003366 0.75156 36.9338
185 2A19 ANP 0.0000001428 0.70752 36.9718
186 4AG8 AXI 0.000003345 0.52863 37.0253
187 2G30 ALA ALA PHE 0.008529 0.43557 37.5
188 2JLD AG1 0.0000000005434 0.51105 38.0117
189 4NM5 ADP 0.00000009906 0.41921 38.0117
190 3ALN ANP 0.0000003127 0.4025 38.2263
191 3F7Z 34O 0.00000001981 0.40415 38.3041
192 4CSV STI 0.00009201 0.5138 38.5455
193 4AT3 LTI 0.0001281 0.48397 38.796
194 2X2M X2M 0.00000001028 0.42663 38.8535
195 2B9I ADP 0.00000003573 0.70109 38.8889
196 3SXF BK5 0.0000002926 0.57373 38.8889
197 2B9H ADP 0.00000005625 0.40928 38.8889
198 2B9J ADP 0.00000004312 0.4 38.8889
199 5FBN 5WF 0.000007916 0.41624 39.1144
200 3G5D 1N1 0.00000009512 0.51696 39.1608
201 3IGO ANP 0.00000007949 0.66077 39.1813
202 3HZT J60 0.0000007444 0.66915 39.4737
203 2HK5 1BM 0.0000002606 0.40106 39.6296
204 4QMN DB8 0.000000563 0.55832 40
205 5AWM ANP 0.0000006544 0.67214 40.0585
206 5TO8 7FM 0.00003084 0.41123 40.0709
207 3BZ3 YAM 0.00003781 0.44288 40.5797
208 4WHZ 3NL 0.000001423 0.50404 40.6433
209 3SLS ANP 0.0000001797 0.41179 40.7895
210 3TTI KBI 0.0000001363 0.61805 40.9357
211 3GC0 AMP 0.000003927 0.62241 41.3374
212 2VZ6 FEF 0.0000002551 0.68454 41.5335
213 4XLI 1N1 0.000001174 0.63387 41.791
214 5H2U 1N1 0.0001917 0.51765 41.9476
215 3GC8 B45 0.000001868 0.59704 42.1622
216 5DA3 58V 0.00001141 0.60573 42.2642
217 5BYZ 4WE 0.000000009521 0.47508 42.6901
218 5VC5 96M 0.000001211 0.41035 42.9066
219 2ZV2 609 0.0000001003 0.71573 44.9664
220 2BPM 529 0.00000000289 0.59309 44.9838
221 5UOX 8GY 0.00000006784 0.66397 45.0185
222 5JGA 6KC 0.0000001692 0.59268 45.3968
223 4FG8 ATP 0.00000002092 0.42275 45.7143
224 4CFU 2WC 0.00000006767 0.70512 45.8746
225 2XMY CDK 0.000001415 0.4916 45.9732
226 4BCN T9N 0.0000001171 0.70223 46
227 1V0O INR 0.0000001205 0.66718 46.1806
228 2F57 23D 0.00001449 0.58574 46.3722
229 2WEI VGG 0.000009805 0.59442 46.6899
230 1PHK ATP 0.0000000003105 0.44553 47.9866
231 5HQ0 LZ9 0.0000001264 0.40516 48.0132
232 4WNK 453 0.000000001289 0.48784 49.1228
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