Receptor
PDB id Resolution Class Description Source Keywords
1SHA 1.5 Å EC: 2.7.1.112 CRYSTAL STRUCTURE OF THE PHOSPHOTYROSINE RECOGNITION DOMAIN SH2 OF V-SRC COMPLEXED WITH TYROSINE-PHOSPHORYLATED P EPTIDES ROUS SARCOMA VIRUS PHOSPHOTRANSFERASE
Ref.: CRYSTAL STRUCTURE OF THE PHOSPHOTYROSINE RECOGNITION DOMAIN SH2 OF V-SRC COMPLEXED WITH TYROSINE-PHOSPHORYLATED PEPTIDES. NATURE V. 358 646 1992
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PTR VAL PRO MET LEU B:201;
Valid;
none;
submit data
699.763 n/a S(CCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1O44 1.7 Å EC: 2.7.1.112 CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU85052 HOMO SAPIENS SH2 DOMAIN FRAGMENT APPROACH SIGNALING PROTEIN
Ref.: REQUIREMENTS FOR SPECIFIC BINDING OF LOW AFFINITY INHIBITOR FRAGMENTS TO THE SH2 DOMAIN OF (PP60)SRC ARE IDENTICAL TO THOSE FOR HIGH AFFINITY BINDING OF FULL LENGTH INHIBITORS. J.MED.CHEM. V. 46 5184 2003
Members (36)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 1O48 ic50 = 450 nM 853 C33 H35 N3 O7 CC(=O)N[C@....
2 1O4N ic50 > 40 mM OXD C2 H2 O4 C(=O)(C(=O....
3 1O44 ic50 = 3 nM 852 C34 H35 N3 O9 CC(=O)N[C@....
4 1O4G ic50 > 5 mM I59 C11 H11 O4 P c1ccc2c(c1....
5 1SHD ic50 = 0.67 uM ACE PTR GLU GLU ILE GLU n/a n/a
6 1O4O ic50 = 3.5 mM HPS C6 H7 O4 P c1ccc(cc1)....
7 1A08 Kd = 2.4 uM ACE FTY GLU DIP n/a n/a
8 1A07 Kd = 0.4 uM ACE PTR GLU DIP n/a n/a
9 1A1B Kd = 0.4 uM ACE PTR GLU DIP n/a n/a
10 1NZV Kd = 0.4 uM PRO GLN PTR ILE PTR VAL PRO ALA n/a n/a
11 1O4L ic50 > 40 mM CIT C6 H8 O7 C(C(=O)O)C....
12 1SHA - PTR VAL PRO MET LEU n/a n/a
13 1F1W - SER PTR VAL ASN VAL GLN ASN n/a n/a
14 1O4P ic50 = 2.5 mM 791 C9 H8 O4 c1ccc(cc1)....
15 1O49 ic50 = 437 nM 493 C32 H36 N3 O9 P CC(=O)N[C@....
16 1O47 ic50 = 4 nM 822 C31 H34 F2 N3 O6 P CC(=O)N[C@....
17 1A1A - ACE PTH GLU DIP n/a n/a
18 1SHB - PTR LEU ARG VAL ALA n/a n/a
19 1O4B ic50 = 2000 nM 876 C30 H35 N3 O9 P2 CC(=O)N[C@....
20 1IS0 Kd = 0.1 uM AY0 GLU GLU ILE n/a n/a
21 1A1E Kd = 1 uM ACE PTR GLU DIY n/a n/a
22 4F5B - PTR C9 H12 N O6 P c1cc(ccc1C....
23 1O4J ic50 = 4.4 mM IS2 C9 H12 N O4 P CCc1ccc(cc....
24 1BKM - 1C5 C26 H39 N4 O10 P CC(=O)N[C@....
25 1O4Q ic50 = 3.2 mM 256 C8 H8 O5 S c1ccc(cc1)....
26 1SKJ ic50 = 7 uM UR2 C25 H38 N3 O10 P CN(CCCC1CC....
27 1A1C Kd = 0.4 uM ACE PTR GLU DIX n/a n/a
28 1O4H ic50 = 3.6 mM 772 C10 H7 N2 O4 P c1cc2ccc(n....
29 1P13 - CYS ASP PTR ALA ASN PHE LYS n/a n/a
30 1KC2 Kd = 0.21 uM PRO GLN PTR GLU GLU ILE PRO ILE n/a n/a
31 1O4R ic50 = 3.9 mM 787 C7 H10 O6 P2 c1ccc(cc1)....
32 1O46 ic50 = 10 nM 903 C35 H36 F N3 O9 CC(=O)N[C@....
33 1NZL Kd = 0.07 uM PRO GLN PTR GLU PTR ILE PRO ALA n/a n/a
34 1O4M ic50 > 40 mM MLA C3 H4 O4 C(C(=O)O)C....
35 1O4F ic50 = 0.3 mM 790 C9 H12 N O4 P c1cc2c(c(c....
36 1O42 ic50 = 9 nM 843 C30 H34 N3 O7 P CC(=O)N[C@....
70% Homology Family (41)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 1O48 ic50 = 450 nM 853 C33 H35 N3 O7 CC(=O)N[C@....
2 1O4N ic50 > 40 mM OXD C2 H2 O4 C(=O)(C(=O....
3 1O44 ic50 = 3 nM 852 C34 H35 N3 O9 CC(=O)N[C@....
4 1O4G ic50 > 5 mM I59 C11 H11 O4 P c1ccc2c(c1....
5 1SHD ic50 = 0.67 uM ACE PTR GLU GLU ILE GLU n/a n/a
6 1O4O ic50 = 3.5 mM HPS C6 H7 O4 P c1ccc(cc1)....
7 1A08 Kd = 2.4 uM ACE FTY GLU DIP n/a n/a
8 1A07 Kd = 0.4 uM ACE PTR GLU DIP n/a n/a
9 1A1B Kd = 0.4 uM ACE PTR GLU DIP n/a n/a
10 1NZV Kd = 0.4 uM PRO GLN PTR ILE PTR VAL PRO ALA n/a n/a
11 1O4L ic50 > 40 mM CIT C6 H8 O7 C(C(=O)O)C....
12 1SHA - PTR VAL PRO MET LEU n/a n/a
13 1F1W - SER PTR VAL ASN VAL GLN ASN n/a n/a
14 1O4P ic50 = 2.5 mM 791 C9 H8 O4 c1ccc(cc1)....
15 1O49 ic50 = 437 nM 493 C32 H36 N3 O9 P CC(=O)N[C@....
16 1O47 ic50 = 4 nM 822 C31 H34 F2 N3 O6 P CC(=O)N[C@....
17 1A1A - ACE PTH GLU DIP n/a n/a
18 1SHB - PTR LEU ARG VAL ALA n/a n/a
19 1O4B ic50 = 2000 nM 876 C30 H35 N3 O9 P2 CC(=O)N[C@....
20 1IS0 Kd = 0.1 uM AY0 GLU GLU ILE n/a n/a
21 1A1E Kd = 1 uM ACE PTR GLU DIY n/a n/a
22 4F5B - PTR C9 H12 N O6 P c1cc(ccc1C....
23 1O4J ic50 = 4.4 mM IS2 C9 H12 N O4 P CCc1ccc(cc....
24 1BKM - 1C5 C26 H39 N4 O10 P CC(=O)N[C@....
25 1O4Q ic50 = 3.2 mM 256 C8 H8 O5 S c1ccc(cc1)....
26 1SKJ ic50 = 7 uM UR2 C25 H38 N3 O10 P CN(CCCC1CC....
27 1A1C Kd = 0.4 uM ACE PTR GLU DIX n/a n/a
28 1O4H ic50 = 3.6 mM 772 C10 H7 N2 O4 P c1cc2ccc(n....
29 1P13 - CYS ASP PTR ALA ASN PHE LYS n/a n/a
30 1KC2 Kd = 0.21 uM PRO GLN PTR GLU GLU ILE PRO ILE n/a n/a
31 1O4R ic50 = 3.9 mM 787 C7 H10 O6 P2 c1ccc(cc1)....
32 1O46 ic50 = 10 nM 903 C35 H36 F N3 O9 CC(=O)N[C@....
33 1NZL Kd = 0.07 uM PRO GLN PTR GLU PTR ILE PRO ALA n/a n/a
34 1O4M ic50 > 40 mM MLA C3 H4 O4 C(C(=O)O)C....
35 1O4F ic50 = 0.3 mM 790 C9 H12 N O4 P c1cc2c(c(c....
36 1O42 ic50 = 9 nM 843 C30 H34 N3 O7 P CC(=O)N[C@....
37 1CWD - PRO GLU GLY ASP PM3 GLU GLU VAL LEU n/a n/a
38 1LKL Kd = 1540 nM ACE PTR GLU GLU GLY n/a n/a
39 1FBZ - CC1 C30 H41 N3 O10 P2 CC(=O)N[C@....
40 1IJR - CC0 C29 H38 N3 O10 P C[C@@H](c1....
41 1CWE - ACE GLN PM3 GLU GLU ILE PRO n/a n/a
50% Homology Family (77)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 171 families.
1 3S9K - CIT C6 H8 O7 C(C(=O)O)C....
2 3IMJ Ka = 2100000 M^-1 AYI C22 H32 N5 O9 P CC[C@H](C)....
3 3C7I Ka = 440000 M^-1 TVN C21 H32 N5 O9 P CC(C)[C@@H....
4 3S8O Ka = 6960000 M^-1 ACE PTR 02K ASN NH2 n/a n/a
5 3IN8 Ka = 400000 M^-1 FYI C22 H34 N5 O9 P CC[C@H](C)....
6 1BMB ic50 = 0.7 uM LYS PRO PHE PTR VAL ASN VAL GLU PHE n/a n/a
7 3KFJ Ka = 300000 M^-1 YEN C21 H30 N5 O11 P CNC(=O)C[C....
8 1FYR ic50 = 2.4 uM ACE PTR VAL ASN VAL n/a n/a
9 3S8L Ka = 430000 M^-1 ACE PTR 192 ASN NH2 n/a n/a
10 3IN7 Ka = 1200000 M^-1 AYQ C21 H29 N6 O10 P CNC(=O)[C@....
11 4P9V Kd = 0.154 uM PHQ PTR 02K ASN NH2 n/a n/a
12 3OVE Ka = 3700000 M^-1 ACT PTR 03E ASN NH2 n/a n/a
13 1BM2 ic50 = 0.11 uM ACE SLZ PTR VAL ASN VAL PRO n/a n/a
14 4P9Z Kd = 87.7 nM NMI PTR 02K ASN NH2 n/a n/a
15 3OV1 Ka = 160000 M^-1 ACT PTR 1AC ASN NH2 n/a n/a
16 2HUW Ka = 1000000 M^-1 YVN C21 H30 N5 O9 P CC(C)[C@@H....
17 3N8M Ka = 6500000 M^-1 6NA PTR VAL ASN VAL 9PR n/a n/a
18 3S8N Ka = 1610000 M^-1 ACE PTR AC5 ASN NH2 n/a n/a
19 3IMD Ka = 560000 M^-1 FYQ C21 H31 N6 O10 P CNC(=O)C[C....
20 3N84 - PTR VAL ASN VAL PRO 011 n/a n/a
21 1O4N ic50 > 40 mM OXD C2 H2 O4 C(=O)(C(=O....
22 1O44 ic50 = 3 nM 852 C34 H35 N3 O9 CC(=O)N[C@....
23 1O4G ic50 > 5 mM I59 C11 H11 O4 P c1ccc2c(c1....
24 1SHD ic50 = 0.67 uM ACE PTR GLU GLU ILE GLU n/a n/a
25 1O4O ic50 = 3.5 mM HPS C6 H7 O4 P c1ccc(cc1)....
26 1A08 Kd = 2.4 uM ACE FTY GLU DIP n/a n/a
27 1A07 Kd = 0.4 uM ACE PTR GLU DIP n/a n/a
28 1A1B Kd = 0.4 uM ACE PTR GLU DIP n/a n/a
29 1NZV Kd = 0.4 uM PRO GLN PTR ILE PTR VAL PRO ALA n/a n/a
30 1O4L ic50 > 40 mM CIT C6 H8 O7 C(C(=O)O)C....
31 1SHA - PTR VAL PRO MET LEU n/a n/a
32 1F1W - SER PTR VAL ASN VAL GLN ASN n/a n/a
33 1O4P ic50 = 2.5 mM 791 C9 H8 O4 c1ccc(cc1)....
34 1O49 ic50 = 437 nM 493 C32 H36 N3 O9 P CC(=O)N[C@....
35 1O47 ic50 = 4 nM 822 C31 H34 F2 N3 O6 P CC(=O)N[C@....
36 1A1A - ACE PTH GLU DIP n/a n/a
37 1SHB - PTR LEU ARG VAL ALA n/a n/a
38 1O4B ic50 = 2000 nM 876 C30 H35 N3 O9 P2 CC(=O)N[C@....
39 1IS0 Kd = 0.1 uM AY0 GLU GLU ILE n/a n/a
40 1A1E Kd = 1 uM ACE PTR GLU DIY n/a n/a
41 4F5B - PTR C9 H12 N O6 P c1cc(ccc1C....
42 1BKM - 1C5 C26 H39 N4 O10 P CC(=O)N[C@....
43 1O4Q ic50 = 3.2 mM 256 C8 H8 O5 S c1ccc(cc1)....
44 1SKJ ic50 = 7 uM UR2 C25 H38 N3 O10 P CN(CCCC1CC....
45 1A1C Kd = 0.4 uM ACE PTR GLU DIX n/a n/a
46 1O4H ic50 = 3.6 mM 772 C10 H7 N2 O4 P c1cc2ccc(n....
47 1P13 - CYS ASP PTR ALA ASN PHE LYS n/a n/a
48 1KC2 Kd = 0.21 uM PRO GLN PTR GLU GLU ILE PRO ILE n/a n/a
49 1O4R ic50 = 3.9 mM 787 C7 H10 O6 P2 c1ccc(cc1)....
50 1O46 ic50 = 10 nM 903 C35 H36 F N3 O9 CC(=O)N[C@....
51 1NZL Kd = 0.07 uM PRO GLN PTR GLU PTR ILE PRO ALA n/a n/a
52 1O4M ic50 > 40 mM MLA C3 H4 O4 C(C(=O)O)C....
53 1O4F ic50 = 0.3 mM 790 C9 H12 N O4 P c1cc2c(c(c....
54 1O42 ic50 = 9 nM 843 C30 H34 N3 O7 P CC(=O)N[C@....
55 3MXY Kd = 384 nM GLN ASN GLY PTR VAL ASN PRO THR TYR n/a n/a
56 1JYQ Kd = 2.5 nM MAZ PTR PTM ASN n/a n/a
57 3WA4 - SER ASP PTR MET ASN MET THR n/a n/a
58 3MXC Kd = 286 nM GLN ASN GLY PTR GLU ASN PRO THR TYR n/a n/a
59 3N7Y Ka = 10000000 M^-1 PTR VAL ASN VAL 011 n/a n/a
60 2AOB - S1S C41 H46 N4 O10 c1ccc2c(c1....
61 1JYR Kd = 18 nM ALA PRO SER PTR VAL ASN VAL GLN ASN n/a n/a
62 1ZFP ic50 = 26 nM BE2 GLU PTR ILE ASN GLN NH2 n/a n/a
63 2AOA - S1S C41 H46 N4 O10 c1ccc2c(c1....
64 1TZE ic50 = 148 nM LYS PRO PHE PTR VAL ASN VAL NH2 n/a n/a
65 1LKK Kd = 140 nM ACE PTR GLU GLU ILE ACE n/a n/a
66 1BHF Ki = 42 uM ACE 1PA GLU GLU ILE n/a n/a
67 1CWD - PRO GLU GLY ASP PM3 GLU GLU VAL LEU n/a n/a
68 1LKL Kd = 1540 nM ACE PTR GLU GLU GLY n/a n/a
69 1FBZ - CC1 C30 H41 N3 O10 P2 CC(=O)N[C@....
70 1IJR - CC0 C29 H38 N3 O10 P C[C@@H](c1....
71 1CWE - ACE GLN PM3 GLU GLU ILE PRO n/a n/a
72 5GJI - SER ASP PTR MET ASN MET THR PRO n/a n/a
73 5GJH - SER ASP PTR MET ASN MET THR PRO n/a n/a
74 1LCK - GLU GLY GLN PTR GLN PRO GLN PRO ALA n/a n/a
75 1R1S - ACE PRO ASP PTR GLU ASN LEU n/a n/a
76 1R1P - ACE ASP ASP PTR VAL ASN VAL n/a n/a
77 1R1Q - ACE ARG GLU PTR VAL ASN VAL n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PTR VAL PRO MET LEU; Similar ligands found: 82
No: Ligand ECFP6 Tc MDL keys Tc
1 PTR VAL PRO MET LEU 1 1
2 ASN LEU VAL PRO MET VAL ALA VAL VAL 0.526718 0.746479
3 ASN LEU VAL PRO MET VAL ALA ALA VAL 0.515152 0.746479
4 ASN LEU VAL PRO MET VAL ALA THR VAL 0.514706 0.743243
5 PRO GLN PTR ILE PTR VAL PRO ALA 0.513889 0.863014
6 SER ASP PTR MET ASN MET THR PRO 0.510638 0.868421
7 TYR MET PHE PRO ASN ALA PRO TYR LEU 0.510204 0.779221
8 ALA PRO SER PTR VAL ASN VAL GLN ASN 0.493056 0.805195
9 ARG PRO GLN VAL PRO LEU ARG PRO MET 0.482517 0.736842
10 GLN VAL PRO LEU ARG PRO MET THR TYR LYS 0.478528 0.7625
11 ASP GLY PTR MET PRO 0.473684 0.928571
12 LYS PRO PHE PTR VAL ASN VAL GLU PHE 0.470968 0.826667
13 GLU VAL PTR GLU SER PRO 0.466667 0.849315
14 MET LEU LEU SER VAL PRO LEU LEU LEU GLY 0.465116 0.702703
15 VAL MET ALA PRO ARG THR LEU PHE LEU 0.464052 0.7125
16 LEU PRO PHE GLU LYS SER THR VAL MET 0.464052 0.76
17 PHE SER ALA PTR PRO SER GLU GLU ASP 0.463576 0.789474
18 6NA PTR VAL ASN VAL 9PR 0.460432 0.853333
19 PRO GLN PTR GLU PTR ILE PRO ALA 0.46 0.849315
20 ASN PRO ARG ALA MET GLN ALA LEU LEU 0.457746 0.692308
21 ILE MET ASP GLN VAL PRO PHE SER VAL 0.457516 0.736842
22 LYS PRO PHE PTR VAL ASN VAL NH2 0.456376 0.813333
23 VAL PRO LEU ARG PRO MET THR TYR 0.453947 0.772152
24 ALA MET ALA PRO ARG THR LEU LEU LEU 0.453901 0.6875
25 PRO GLN PTR GLU GLU ILE PRO ILE 0.453333 0.873239
26 GLU GLY GLN PTR GLN PRO GLN PRO ALA 0.452703 0.84507
27 THR PRO GLN ASP LEU ASN THR MET LEU 0.451389 0.756757
28 SER SER GLY LYS VAL PRO LEU 0.449612 0.653333
29 SER ALA GLU PRO VAL PRO LEU GLN LEU 0.449275 0.671053
30 TYR SEP PRO THR SEP PRO SER 0.447761 0.810811
31 VAL MET ALA PRO ARG ALA LEU LEU LEU 0.446043 0.710526
32 THR PRO TYR ASP ILE ASN GLN MET LEU 0.44586 0.8
33 GLU PTR LEU GLY LEU ASP VAL PRO VAL 0.445378 0.710145
34 ARG MET PHE PRO ASN ALA PRO TYR LEU 0.44375 0.73494
35 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.443709 0.763889
36 SER SER GLY LYS VAL PRO LEU SER 0.443609 0.666667
37 GLN ASN GLY PTR GLU ASN PRO THR TYR 0.439189 0.810811
38 GLN ASN GLY PTR VAL ASN PRO THR TYR 0.439189 0.815789
39 ARG PRO MET THR TYR LYS GLY ALA LEU 0.439024 0.740741
40 LYS PRO SEP GLN GLU LEU 0.438462 0.780822
41 LEU PRO PHE GLU ARG ALA THR VAL MET 0.438272 0.7125
42 MET GLN SER TPO PRO LEU 0.43662 0.813333
43 ARG PRO MET THR PHE LYS GLY ALA LEU 0.435583 0.703704
44 SER MET PRO GLU LEU SER PRO VAL LEU 0.433566 0.733333
45 ARG VAL ILE PTR PHE VAL PRO LEU ASN ARG 0.430657 0.885714
46 ASN LEU VAL PRO GLN VAL ALA THR VAL 0.429577 0.689189
47 LEU PRO PHE ASP LYS THR THR ILE MET 0.429487 0.77027
48 TRP MET ASP PHE ASP ASP ASP ILE PRO PHE 0.428571 0.7
49 ASP PHE GLU GLU ILE PRO GLY GLU PTR 0.428571 0.837838
50 TRP ASP ILE PRO PHE 0.428571 0.7
51 LEU GLN ARG VAL LEU SEP ALA PRO PHE 0.427632 0.75641
52 LYS LEU THR PRO LEU CYS VAL THR LEU 0.42446 0.712329
53 PHE PRO THR LYS ASP VAL ALA LEU 0.422819 0.726027
54 PTR LEU ARG VAL ALA 0.421053 0.702703
55 LEU PRO PHE ASP LYS SER THR ILE MET 0.419753 0.75
56 ALA VAL PRO TRP 0.418605 0.704225
57 ACE MET GLN SER TPO PRO LEU NH2 0.416667 0.802632
58 LYS VAL PRO ARG ASN GLN ASP TRP LEU 0.416667 0.658537
59 LEU PRO PHE ASP ARG THR THR ILE MET 0.416149 0.716049
60 ASN LEU VAL PRO THR VAL ALA THR VAL 0.416058 0.689189
61 TYR LEU GLU PRO ALA PRO VAL THR ALA 0.414966 0.756757
62 PHE ALA PRO GLY PHE PHE PRO TYR LEU 0.413333 0.756757
63 GLN PRO PRO VAL PRO PRO GLN ARG PRO MET 0.413333 0.736842
64 LEU PRO PHE GLU ARG ALA THR ILE MET 0.413174 0.703704
65 ASN LEU VAL PRO VAL VAL ALA THR VAL 0.413043 0.689189
66 PHE TYR ALA PRO GLU PRO ILE THR SER LEU 0.4125 0.708861
67 ACE ALA PRO GLN VAL STA VAL MET HIS PRO 0.4125 0.730769
68 SER VAL PRO ILE 0.410256 0.635135
69 ASP PHE GLU GLU ILE PRO GLY GLU TYS LEU 0.409938 0.7875
70 PHE LEU PRO SER ASP PHE PHE PRO SER VAL 0.409722 0.688312
71 GLU TYR LEU GLY LEU ASP VAL PRO VAL 0.407895 0.774648
72 PHE ASN PHE PRO GLN ILE THR 0.406897 0.675325
73 SER GLU CYS THR THR PRO CYS 0.406015 0.675676
74 TYR LEU ALA PRO GLY PRO VAL THR ALA 0.405405 0.746667
75 ASN LEU VAL PRO SER VAL ALA THR VAL 0.404255 0.671053
76 PRO MET GLN SER TPO PRO LEU 0.403974 0.815789
77 ACE LEU TYR ALA SER SER ASN PRO ALA PTR 0.403846 0.797468
78 ALA LEU TRP GLY PHE VAL PRO VAL LEU 0.403727 0.702703
79 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 0.402367 0.818182
80 LEU PRO GLU THR GLY 0.401575 0.684932
81 GLU PRO GLN ALA PRO TRP MET GLU GLN 0.401274 0.756757
82 SER LEU ILE PRO TPO PRO ASP LYS 0.4 0.776316
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1O44; Ligand: 852; Similar sites found: 48
This union binding pocket(no: 1) in the query (biounit: 1o44.bio1) has 42 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4RHS SIA SIA GAL 0.0008067 0.50491 None
2 1BHX ASP PHE GLU GLU ILE 0.003427 0.45919 None
3 2G30 ALA ALA PHE 0.006554 0.45632 None
4 3X01 AMP 0.00983 0.44871 None
5 1UPR 4IP 0.02216 0.43544 None
6 3QH2 3NM 0.01933 0.42853 None
7 4CQK PIO 0.03479 0.41639 None
8 4NS0 PIO 0.03033 0.41616 None
9 4MTI 2DX 0.03705 0.41302 None
10 3EFS BTN 0.01425 0.40956 None
11 1OPB RET 0.017 0.40906 None
12 1FHX 4IP 0.04481 0.40845 None
13 4DSU BZI 0.00004552 0.58166 1.85185
14 2XG5 EC5 0.0005185 0.52077 2.77778
15 2XG5 EC2 0.0005185 0.52077 2.77778
16 1W2D ADP 0.0259 0.41362 2.77778
17 3BY9 SIN 0.04945 0.40789 2.77778
18 2HBL AMP 0.02024 0.42717 3.7037
19 4XBA GMP 0.02654 0.40946 3.7037
20 4XBA 5GP 0.02742 0.40536 3.7037
21 3ZJX BOG 0.01679 0.43412 4.62963
22 4KBA 1QM 0.0004213 0.51227 5.55556
23 5D9G GLU ASN LEU TYR PHE GLN 0.005741 0.45227 5.55556
24 1QKQ MAN 0.01974 0.43112 5.55556
25 4DS0 A2G GAL NAG FUC 0.01743 0.41541 5.55556
26 5LKC FUC GLA A2G 0.03533 0.41199 5.55556
27 5EW9 5VC 0.01818 0.4 5.55556
28 4XG0 CIT 0.03252 0.42628 6.48148
29 4IAW LIZ 0.01785 0.42205 6.48148
30 3PA8 621 0.02993 0.41812 6.48148
31 1GPM AMP 0.03572 0.40876 6.48148
32 2WBV SIA 0.03145 0.40337 6.48148
33 4XLI 1N1 0.01381 0.41669 7.40741
34 3JQ3 ADP 0.02335 0.41597 7.40741
35 5C5T AKG 0.04247 0.40592 7.40741
36 1I1E DM2 0.01564 0.43356 8.33333
37 1SBR VIB 0.005866 0.45675 9.25926
38 2CYB TYR 0.04333 0.4111 9.25926
39 2NGR AF3 0.01254 0.43879 10.1852
40 2VDF OCT 0.03086 0.42259 10.1852
41 1UNQ 4IP 0.01097 0.44461 11.1111
42 2PZI AXX 0.03842 0.40123 12.037
43 5MRH Q9Z 0.01774 0.42624 12.963
44 4YVN EBS 0.04735 0.40868 12.963
45 5BVE 4VG 0.003939 0.4076 17.5926
46 3SJK LYS PRO VAL LEU ARG THR ALA 0.02436 0.42221 18.5185
47 5F7Y GLC GAL NAG GAL FUC A2G 0.03181 0.40544 19.4444
48 3GXW SIN 0.000358 0.4615 41.7476
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