Receptor
PDB id Resolution Class Description Source Keywords
1PVC 2.4 Å NON-ENZYME: TOXIN_VIRAL REFINEMENT OF THE SABIN STRAIN OF TYPE 3 POLIOVIRUS AT 2.4 ANGSTROMS AND THE CRYSTAL STRUCTURES OF ITS VARIANTS AT 2 .9 ANGSTROMS RESOLUTION POLIOVIRUS TYPE 3 (STRAINS P3/LEON/37 AND P3/LEON 12A[1]B) VIRUS ICOSAHEDRAL VIRUS
Ref.: REFINEMENT OF THE SABIN STRAIN OF TYPE 3 POLIOVIRUS AT 2.4 ANGSTROMS AND THE CRYSTAL STRUCTURES OF ITS VARIANTS AT 2.9 ANGSTROMS RESOLUTION TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ILE SER GLU VAL 0:7;
Valid;
none;
submit data
430.502 n/a O=C([...
MYR 4:1;
Part of Protein;
none;
submit data
228.371 C14 H28 O2 CCCCC...
SPH 1:1000;
Invalid;
none;
submit data
299.492 C18 H37 N O2 CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1PVC 2.4 Å NON-ENZYME: TOXIN_VIRAL REFINEMENT OF THE SABIN STRAIN OF TYPE 3 POLIOVIRUS AT 2.4 ANGSTROMS AND THE CRYSTAL STRUCTURES OF ITS VARIANTS AT 2 .9 ANGSTROMS RESOLUTION POLIOVIRUS TYPE 3 (STRAINS P3/LEON/37 AND P3/LEON 12A[1]B) VIRUS ICOSAHEDRAL VIRUS
Ref.: REFINEMENT OF THE SABIN STRAIN OF TYPE 3 POLIOVIRUS AT 2.4 ANGSTROMS AND THE CRYSTAL STRUCTURES OF ITS VARIANTS AT 2.9 ANGSTROMS RESOLUTION TO BE PUBLISHED
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 60 families.
1 1PVC - ILE SER GLU VAL n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 42 families.
1 4Q4X - SIA C11 H19 N O9 CC(=O)N[C@....
2 4Q4Y - SIA C11 H19 N O9 CC(=O)N[C@....
3 1PVC - ILE SER GLU VAL n/a n/a
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 5BNO - 4U1 C25 H42 N2 O19 CC(=O)N[C@....
2 5BNP - 4U2 C25 H42 N2 O19 CC(=O)N[C@....
3 4WM7 - W11 C18 H18 F3 N3 O3 Cc1cc(cc(c....
4 4WM8 - DKA C10 H20 O2 CCCCCCCCCC....
5 5BNN - 4U0 C23 H39 N O19 CC(=O)N[C@....
6 1NCQ - W11 C18 H18 F3 N3 O3 Cc1cc(cc(c....
7 1PVC - ILE SER GLU VAL n/a n/a
8 1ND2 - MYR C14 H28 O2 CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ILE SER GLU VAL; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 ILE SER GLU VAL 1 1
2 ILE GLU ILE 0.61194 0.809524
3 ALA GLU ALA VAL PRO TRP LYS SER GLU 0.506849 0.785714
4 LEU THR GLU PTR VAL ALA THR ARG 0.456522 0.637931
5 ILE GLN GLN SER ILE GLU ARG ILE 0.454545 0.788462
6 GLY PRO THR ILE GLU GLU VAL ASP 0.427184 0.689655
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1PVC; Ligand: ILE SER GLU VAL; Similar sites found: 120
This union binding pocket(no: 1) in the query (biounit: 1pvc.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4O6W ACE PRO LEU 2SO SER TPO NH2 0.003809 0.42271 2.1097
2 1FND A2P 0.004053 0.46885 2.94118
3 4A3U FMN 0.02417 0.41199 2.99003
4 4CSS CWX 0.02946 0.40965 3.06748
5 1TDF NAP 0.01132 0.45256 3.65448
6 3QX9 ATP 0.00005132 0.43066 4.34783
7 4HJY NAG NAG NAG 0.01746 0.41036 4.36893
8 3BIY 01K 0.02095 0.42906 4.41176
9 4C2C ALA ALA ALA 0.001106 0.41518 4.41176
10 3R96 ACO 0.00131 0.52154 4.78723
11 1J09 GLU 0.005896 0.42203 4.79705
12 1J09 ATP 0.005896 0.42203 4.79705
13 5JH2 A2P 0.0005811 0.48615 5.04202
14 3MVH WFE 0.04483 0.41146 5.16605
15 1ZHS NAG NAG BMA MAN MAN 0.006735 0.41402 5.30973
16 1SL3 170 0.04172 0.40331 5.46218
17 5BVE 4VG 0.0002435 0.55401 5.53506
18 3QDU CBS CBS 0.01581 0.40219 5.59441
19 2NZ5 226 0.01699 0.40085 5.64784
20 4YHB FAD 0.002328 0.49165 5.86081
21 2GU8 796 0.004264 0.50321 5.88235
22 3WYJ H78 0.0101 0.468 5.88235
23 1SQA UI1 0.01557 0.42088 5.88235
24 1W0H AMP 0.01844 0.40234 5.88235
25 1NTV ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 0.03283 0.41101 6.57895
26 5HGZ ACO 0.03217 0.40987 6.58436
27 3W2E NAD 0.007338 0.46337 6.64207
28 3W2E FAD 0.007338 0.46337 6.64207
29 5N87 N66 0.01716 0.43061 7.14286
30 4CQE CQE 0.01327 0.45361 7.19424
31 3ZOD HQE 0.009392 0.43033 7.32984
32 4MSG 2C6 0.004447 0.4373 7.35294
33 1VJY 460 0.02365 0.43501 7.35294
34 5FA6 FAD 0.03204 0.42704 7.35294
35 5FA6 NAP 0.0326 0.42704 7.35294
36 5FA6 FMN 0.03204 0.42704 7.35294
37 3QFS FAD 0.01659 0.42448 7.35294
38 4OFJ HIS 0.01024 0.42169 7.35294
39 2ZPA ACO 0.01078 0.43151 7.38007
40 3KRR DQX 0.0005259 0.54337 7.56302
41 1PI5 SM2 0.03909 0.40411 7.6412
42 5W8E SXZ 0.02918 0.40694 7.69231
43 2FXU ATP 0.03532 0.41631 7.74908
44 4MCC 21X 0.02832 0.42662 7.98319
45 5LJW ANP 0.01337 0.42261 7.98319
46 1CJW COT 0.03339 0.41736 8.43373
47 3KJD 78P 0.000648 0.47173 8.63787
48 1HFU NAG NDG 0.009125 0.40732 8.63787
49 4WQM FAD 0.006993 0.44015 8.82353
50 5GK9 ACO 0.02455 0.42431 8.82353
51 4N70 2HX 0.04905 0.42284 8.82353
52 5AX9 4KT 0.01529 0.41071 8.82353
53 3WH2 FLC 0.005399 0.40169 8.84354
54 5O0X FAD 0.00152 0.4757 8.85609
55 5LYH 7B8 0.009161 0.43725 9.32642
56 2WBV SIA 0.001486 0.41941 9.52381
57 4P8K 38C 0.01352 0.45131 9.66387
58 1JG3 VAL TYR PRO IAS HIS ALA 0.02586 0.40465 9.78723
59 5LXC 7AA 0.005475 0.4541 9.96678
60 2JLD ALA GLY GLY ALA ALA ALA ALA ALA 0.00008894 0.53638 10.2941
61 4RPL FAD 0.002709 0.50855 10.2941
62 4RPL 3UC 0.003678 0.49424 10.2941
63 4UYW H1S 0.0001887 0.44259 10.2941
64 4GID 0GH 0.0124 0.44242 10.2941
65 2BGS NDP 0.009962 0.41937 10.2941
66 4Z3X MTE 0.01737 0.41895 10.2941
67 5FBN 5WF 0.04271 0.40774 10.2941
68 5IH9 6BF 0.003023 0.48674 10.5042
69 2RCU BUJ 0.001579 0.47927 10.7011
70 3R5J ACE ALA ASP VAL ALA ASA 0.009609 0.425 10.7143
71 1S1D GP2 0.02294 0.40048 10.9244
72 3G5D 1N1 0.03042 0.43466 11.0701
73 5T0B SIA GAL NAG 0.009924 0.40364 11.1111
74 5KIQ SIA GAL NAG FUC 0.001461 0.4475 11.1675
75 4YLL 4E3 0.00672 0.46428 11.3573
76 4G1V FAD 0.008637 0.43639 11.7647
77 5HCY 60D 0.01901 0.43407 11.7647
78 5EW9 5VC 0.02271 0.42705 11.7647
79 3DEK RXD 0.01447 0.42047 11.7647
80 5T52 A2G 0.03661 0.40406 11.7647
81 5T52 NGA 0.02843 0.4023 11.7647
82 5LFV SIA GAL NAG 0.001167 0.4162 12.1849
83 4ZTE 4RL 0.000317 0.49199 12.3223
84 4P5Z Q7M 0.01145 0.46971 12.5461
85 1V47 ADX 0.02132 0.42119 12.9151
86 5G5G FAD 0.006049 0.45798 13.2353
87 4I54 1C1 0.01591 0.43983 13.2353
88 2ODE ALF GDP 0.03455 0.41518 13.2353
89 3OZV ECN 0.00897 0.46549 14.7059
90 3OZV FAD 0.01479 0.43818 14.7059
91 5L44 K26 0.0101 0.4369 14.7059
92 5CUQ NSC 0.01168 0.42242 14.7059
93 5LKT BCO 0.02127 0.42179 14.7059
94 5W4W 9WG 0.0439 0.40878 14.7059
95 5L2J 70E 0.007487 0.45827 15.3061
96 5L2J 6UL 0.007168 0.45827 15.3061
97 4YDD MD1 0.0376 0.40173 16.1765
98 4YDD MGD 0.0376 0.40173 16.1765
99 1QFY FAD 0.004477 0.467 16.2362
100 5H5J FAD 0.003378 0.44368 17.6471
101 5KVM THR TYR PHE ALA VAL LEU MET VAL SER 0.009728 0.43811 17.6471
102 1TLL FAD 0.005704 0.43799 17.6471
103 1TLL NAP 0.01991 0.42175 17.6471
104 5X8G S0N 0.04163 0.40723 17.6471
105 4A91 GLU 0.001399 0.41812 19.1176
106 2DJH 3PD UM3 0.02997 0.42423 20
107 1UZ8 MAG FUC GAL 0.03469 0.4048 20.1835
108 5KOK SAH 0.01561 0.41288 20.5882
109 2IFW ACE PHE LYS PHE PSA LEU AAR 0.01391 0.4119 20.5882
110 4AUA 4AU 0.0195 0.41014 20.5882
111 1U1B PAX 0.02571 0.40151 20.5882
112 4B0H DUR 0.001478 0.52327 21.5278
113 4FK7 P34 0.002875 0.41282 22.0588
114 3MTX PGT 0.01426 0.4395 22.5166
115 4ZH7 FUC GAL NAG GAL FUC 0.004196 0.43818 23.5294
116 4G0P U5P 0.0007408 0.41559 25
117 4IJP 1EH 0.03668 0.4075 25
118 4YEF 4CQ 0.00775 0.43571 25.8427
119 4F0E 0RU 0.007145 0.41037 26.4706
120 5U61 7WG 0.001566 0.45326 32.3529
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