Receptor
PDB id Resolution Class Description Source Keywords
5HDA 2.39 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE BS69 COILED COIL-MYND DOMAINS BOUND EBNA2 PXLXP MOTIF HOMO SAPIENS BS69 EBNA2 MYND ZMYND11 COILED-COIL IMMUNE SYSTEM
Ref.: BS69/ZMYND11 C-TERMINAL DOMAINS BIND AND INHIBIT EB PLOS PATHOG. V. 12 05414 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN A:601;
C:602;
A:602;
C:601;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
SER MET PRO GLU LEU SER PRO VAL LEU B:381;
D:381;
Valid;
Valid;
Atoms found LESS than expected: % Diff = 0.134;
Atoms found LESS than expected: % Diff = 0.015;
Kd = 7.4 uM
956.173 n/a S(CCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5HDA 2.39 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE BS69 COILED COIL-MYND DOMAINS BOUND EBNA2 PXLXP MOTIF HOMO SAPIENS BS69 EBNA2 MYND ZMYND11 COILED-COIL IMMUNE SYSTEM
Ref.: BS69/ZMYND11 C-TERMINAL DOMAINS BIND AND INHIBIT EB PLOS PATHOG. V. 12 05414 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 5HDA Kd = 7.4 uM SER MET PRO GLU LEU SER PRO VAL LEU n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 5HDA Kd = 7.4 uM SER MET PRO GLU LEU SER PRO VAL LEU n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 5HDA Kd = 7.4 uM SER MET PRO GLU LEU SER PRO VAL LEU n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SER MET PRO GLU LEU SER PRO VAL LEU; Similar ligands found: 65
No: Ligand ECFP6 Tc MDL keys Tc
1 SER MET PRO GLU LEU SER PRO VAL LEU 1 1
2 SER ALA GLU PRO VAL PRO LEU GLN LEU 0.518519 0.921875
3 ARG ARG ARG GLU ARG SER PRO THR ARG 0.489209 0.774648
4 SER SER CYS PRO LEU SER LYS 0.48062 0.904762
5 TYR LEU GLU PRO ALA PRO VAL THR ALA 0.479167 0.826087
6 ARG SER ALA SEP GLU PRO SER LEU 0.473333 0.763158
7 MET GLN SER TPO PRO LEU 0.471831 0.833333
8 MET LEU LEU SER VAL PRO LEU LEU LEU GLY 0.469697 0.936508
9 SER HIS SEP SER PRO ALA SER LEU 0.466667 0.77027
10 THR PRO GLN ASP LEU ASN THR MET LEU 0.465753 0.909091
11 SER GLU CYS THR THR PRO CYS 0.465649 0.875
12 ASN LEU VAL PRO MET VAL ALA THR VAL 0.465278 0.893939
13 ASN LEU VAL PRO MET VAL ALA VAL VAL 0.464286 0.846154
14 LEU PRO PHE GLU LYS SER THR VAL MET 0.458599 0.939394
15 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 0.457831 0.74359
16 GLN MET PRO THR GLU ASP GLU TYR 0.456954 0.869565
17 ASN LEU VAL PRO MET VAL ALA ALA VAL 0.453901 0.846154
18 LEU PRO GLU THR GLY 0.452381 0.859375
19 TYR LEU GLU PRO GLY PRO VAL THR VAL 0.450331 0.852941
20 ASP ARG VAL GLU LEU ASN ALA PRO ARG GLN 0.44898 0.75
21 ALA PRO THR MET PRO PRO PRO LEU PRO PRO 0.448529 0.923077
22 TYR LEU GLU PRO GLY PRO VAL THR ALA 0.447368 0.852941
23 ARG PRO GLN VAL PRO LEU ARG PRO MET 0.446667 0.828571
24 SER HIS SEP SER PRO ALA SER LEU GLN 0.44375 0.773333
25 PRO GLU PRO THR ALA PRO PRO GLU GLU 0.4375 0.846154
26 LEU SER SER PRO VAL THR LYS SER PHE 0.436242 0.863636
27 PTR VAL PRO MET LEU 0.433566 0.733333
28 ALA MET ALA PRO ARG THR LEU LEU LEU 0.428571 0.819444
29 TYR LEU LYS GLU PRO VAL HIS GLY VAL 0.426829 0.75
30 SER ASP ILE LEU PHE PRO ALA ASP SER 0.425676 0.863636
31 GLU LYS PRO SER SER SER 0.425197 0.857143
32 ASN LEU VAL PRO GLN VAL ALA THR VAL 0.424658 0.833333
33 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.424242 0.788732
34 ASN PRO ARG ALA MET GLN ALA LEU LEU 0.422819 0.802817
35 GLY TYR GLN ASP TYR GLU PRO GLU ALA 0.421429 0.735294
36 GLU LEU PRO LEU VAL LYS ILE 0.421429 0.796875
37 VAL MET ALA PRO ARG ALA LEU LEU LEU 0.42069 0.774648
38 ASN ARG PRO ILE LEU SER LEU 0.42069 0.791667
39 ARG GLN ALA SEP ILE GLU LEU PRO SER MET 0.41954 0.805195
40 GLN PRO PRO VAL PRO PRO GLN ARG PRO MET 0.418301 0.828571
41 PRO MET GLN SER TPO PRO LEU 0.418301 0.861111
42 GLY THR SER SER PRO SER ALA ASP 0.41791 0.859375
43 LEU PRO PHE GLU ARG ALA THR VAL MET 0.416667 0.821918
44 GLY LEU LEU GLY SER PRO VAL ARG ALA 0.414966 0.785714
45 LEU PRO PRO VAL VAL ALA LYS GLU ILE 0.414474 0.828125
46 ILE LEU LYS GLU PRO VAL HIS GLY VAL 0.41358 0.779412
47 VAL PRO LEU ARG PRO MET THR TYR 0.4125 0.813333
48 VAL ORN LEU DPN PRO VAL ORN LEU DPN PRO 0.412162 0.746269
49 ARG VAL SER PRO SER THR SER TYR THR PRO 0.411348 0.808824
50 GLN LEU SER PRO PHE PRO PHE ASP LEU 0.409091 0.865672
51 PHE TYR ALA PRO GLU PRO ILE THR SER LEU 0.408537 0.819444
52 ASN LEU VAL PRO VAL VAL ALA THR VAL 0.408451 0.833333
53 ARG PRO ARG PRO ASP ASP LEU GLU ILE 0.407895 0.774648
54 SER SER GLY LYS VAL PRO LEU SER 0.407143 0.920635
55 SER PRO ARG LEU PRO LEU LEU GLU SER 0.404255 0.714286
56 PHE SER ALA PTR PRO SER GLU GLU ASP 0.403727 0.714286
57 GLU PRO GLN ALA PRO TRP MET GLU 0.403727 0.8
58 LEU LEU CYS SER TPO PRO ASN GLY LEU 0.402685 0.780822
59 GLU LEU PRO PRO VAL LYS ILE HIS CYS 0.402367 0.808824
60 LYS PRO SEP GLN GLU LEU 0.40146 0.75
61 LYS PRO VAL LEU ARG THR ALA 0.401361 0.774648
62 ACE ALA PRO GLN VAL STA VAL MET HIS PRO 0.4 0.871429
63 GLU VAL PTR GLU SER PRO 0.4 0.746667
64 LYS LEU THR PRO LEU CYS VAL THR LEU 0.4 0.890625
65 ASN LEU VAL PRO SER VAL ALA THR VAL 0.4 0.863636
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5HDA; Ligand: SER MET PRO GLU LEU SER PRO VAL LEU; Similar sites found: 8
This union binding pocket(no: 1) in the query (biounit: 5hda.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1M5B BN1 0.02838 0.46063 None
2 1IY8 NAD 0.03767 0.40716 None
3 3EWK FAD 0.01251 0.42119 6.45161
4 2Z23 LYS LYS LYS 0.02305 0.40998 6.45161
5 2XCG XCG 0.0389 0.40583 7.25806
6 4UHL VFV 0.02675 0.4043 8.87097
7 1U1B PAX 0.03119 0.40786 11.2903
8 3P8N L4T 0.02865 0.40762 12.9032
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