Receptor
PDB id Resolution Class Description Source Keywords
2HO2 1.33 Å NON-ENZYME: BINDING STRUCTURE OF HUMAN FE65-WW DOMAIN IN COMPLEX WITH HMENA PEPT HOMO SAPIENS WW DOMAIN BETA SHEET FE65 PROTEIN BINDING
Ref.: STRUCTURAL BASIS FOR POLYPROLINE RECOGNITION BY THE DOMAIN. J.MOL.BIOL. V. 372 970 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:101;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU B:1;
Valid;
none;
Kd = 116 uM
990.237 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2HO2 1.33 Å NON-ENZYME: BINDING STRUCTURE OF HUMAN FE65-WW DOMAIN IN COMPLEX WITH HMENA PEPT HOMO SAPIENS WW DOMAIN BETA SHEET FE65 PROTEIN BINDING
Ref.: STRUCTURAL BASIS FOR POLYPROLINE RECOGNITION BY THE DOMAIN. J.MOL.BIOL. V. 372 970 2007
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 2OEI Kd = 124 uM PRO PRO PRO PRO PRO PRO LEU PRO PRO n/a n/a
2 2HO2 Kd = 116 uM PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 families.
1 2OEI Kd = 124 uM PRO PRO PRO PRO PRO PRO LEU PRO PRO n/a n/a
2 2HO2 Kd = 116 uM PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU n/a n/a
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 272 families.
1 2OEI Kd = 124 uM PRO PRO PRO PRO PRO PRO LEU PRO PRO n/a n/a
2 2HO2 Kd = 116 uM PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU n/a n/a
3 4GWT - LMR C4 H6 O5 C([C@@H](C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU; Similar ligands found: 21
No: Ligand ECFP6 Tc MDL keys Tc
1 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU 1 1
2 PRO PRO PRO PRO PRO PRO LEU PRO PRO 0.636364 1
3 MET PRO PRO PRO PRO SEP PRO CYS THR 0.589474 0.698413
4 PRO PRO PRO VAL PRO PRO TYR SER ALA GLY 0.56044 0.9375
5 PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO 0.547945 0.78
6 PRO PRO PRO PRO PRO PRO PRO PRO 0.532468 0.8125
7 PRO PRO PRO PRO PRO PRO PRO PRO PRO 0.532468 0.8125
8 PRO PRO PRO PRO PRO PRO PRO PRO IYR 0.53125 0.709677
9 MET PRO PRO PRO PRO TPO PRO ARG SER 0.530612 0.733333
10 PRO PRO PRO VAL NMC PRO ARG ARG ARG 0.522124 0.783333
11 PRO PRO PRO VAL PRO PRO ARG ARG ARG ARG 0.509615 0.810345
12 PRO PRO PRO ALA LEU PRO PRO LYS LYS ARG 0.482143 0.96
13 PRO PRO GLY PRO PRO GLY PRO PRO GLY 0.466667 0.811321
14 SER PRO SER PRO SER PRO SER PRO SER PRO 0.455556 0.785714
15 PRO PRO LYS LYS LYS ARG LYS VAL 0.45283 0.793103
16 VAL PRO PRO PRO VAL PRO PRO PRO PRO SER 0.447917 0.854545
17 VAL PRO PRO PRO ARG PRO PRO PRO PRO GLU 0.443396 0.737705
18 SER PRO ARG LEU PRO LEU LEU GLU SER 0.419643 0.810345
19 LEU PRO PRO GLU GLU ARG LEU ILE 0.40678 0.758065
20 PRO PRO LYS ARG ILE ALA 0.401709 0.754098
21 PRO MET GLN SER TPO PRO LEU 0.401575 0.676056
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2HO2; Ligand: PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU; Similar sites found: 32
This union binding pocket(no: 1) in the query (biounit: 2ho2.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3F8D FAD 0.01026 0.4357 None
2 4HWT 1B2 0.006116 0.43327 None
3 2Q8Y GLN TYR PHE MET TPO GLU PTR VAL ALA 0.004446 0.42525 None
4 4B1M FRU FRU 0.002764 0.42514 None
5 2BOS GLA GAL GLC 0.003351 0.41033 None
6 2BOS GLA GAL 0.003404 0.41004 None
7 4GC1 MAN MAN 0.002032 0.4096 None
8 5LDQ NAP 0.0001291 0.40679 None
9 5JNN 6LM 0.01054 0.40608 None
10 4DSU BZI 0.0008177 0.40409 None
11 3GXZ BMA MAN MAN MAN 0.01967 0.40246 None
12 4Q0L V14 0.009953 0.43638 7.89474
13 2GOO NDG 0.002589 0.40065 7.89474
14 3GZ8 APR 0.00009852 0.52201 10.5263
15 2RDE C2E 0.001142 0.45964 10.5263
16 3IU9 T07 0.001987 0.48391 13.1579
17 4YVN EBS 0.00005977 0.42762 13.1579
18 2J5B TYE 0.0003581 0.42776 15.7895
19 2AOT 2PM 0.008424 0.42197 15.7895
20 5F6U 5VK 0.00115 0.41646 15.7895
21 1BHX ASP PHE GLU GLU ILE 0.00001826 0.41312 15.7895
22 2XG5 EC2 0.002025 0.40408 15.7895
23 2XG5 EC5 0.002025 0.40408 15.7895
24 1EB1 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 0.00002279 0.40262 15.7895
25 1ELI PYC 0.007527 0.45274 18.4211
26 4IJP 1EH 0.004188 0.44344 18.4211
27 4FFG LBS 0.002878 0.40619 18.4211
28 3UW5 MAA CHG PRO 0DQ 0.0002168 0.50982 21.0526
29 5M6N 7H9 0.0002744 0.40782 21.0526
30 3UW4 MAA CHG PRO 0DQ 0.01289 0.40473 21.0526
31 2HRL SIA GAL SIA BGC NGA CEQ 0.01963 0.40423 23.6842
32 3CM2 X23 0.0002158 0.41125 31.5789
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