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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;
Atoms found LESS than expected: % Diff = 0;
Kd = 7.4 uM
843.013 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 1443 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 1205 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 1039 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: 49
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 0.515385 0.9375
3 MET LEU LEU SER VAL PRO LEU LEU LEU GLY 0.484127 0.9375
4 THR PRO GLN ASP LEU ASN THR MET LEU 0.474453 0.924242
5 SER GLU CYS THR THR PRO CYS 0.472 0.876923
6 SER SER CYS PRO LEU SER LYS 0.468254 0.90625
7 ASN LEU VAL PRO MET VAL ALA VAL VAL 0.466165 0.876923
8 GLY TYR GLN ASP TYR GLU PRO GLU ALA 0.458015 0.73913
9 ASN LEU VAL PRO MET VAL ALA THR VAL 0.456522 0.909091
10 ASN LEU VAL PRO MET VAL ALA ALA VAL 0.455224 0.876923
11 LEU PRO GLU THR GLY 0.453782 0.861538
12 ARG PRO GLN VAL PRO LEU ARG PRO MET 0.451389 0.842857
13 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.448718 0.802817
14 MET GLN SER TPO PRO LEU 0.446043 0.847222
15 SER ASP ILE LEU PHE PRO ALA ASP SER 0.442857 0.865672
16 ALA PRO THR MET PRO PRO PRO LEU PRO PRO 0.44186 0.924242
17 ACE MET GLN SER SEP PRO LEU NH2 0.441176 0.847222
18 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 0.438272 0.746835
19 ARG ARG ARG GLU ARG SER PRO THR ARG 0.435714 0.788732
20 LEU PRO PHE GLU LYS SER THR VAL MET 0.435065 0.940298
21 GLN LEU SER PRO PHE PRO PHE ASP LEU 0.434483 0.867647
22 GLU LYS PRO SER SER SER 0.434426 0.859375
23 PTR VAL PRO MET LEU 0.433824 0.736842
24 TYR LEU GLU PRO ALA PRO VAL THR ALA 0.433566 0.828571
25 ILE PRO LEU THR GLU GLU ALA GLU LEU 0.432836 0.848485
26 GLN MET PRO THR GLU ASP GLU TYR 0.432432 0.884058
27 ASN PRO ARG ALA MET GLN ALA LEU LEU 0.423611 0.830986
28 ARG PRO ARG PRO ASP ASP LEU GLU ILE 0.423611 0.788732
29 VAL PRO LEU THR GLU ASP ALA GLU LEU 0.423358 0.861538
30 ASN LEU VAL PRO GLN VAL ALA THR VAL 0.421429 0.848485
31 VAL MET ALA PRO ARG ALA LEU LEU LEU 0.421429 0.788732
32 ASP ARG VAL GLU LEU ASN ALA PRO ARG GLN 0.417808 0.763889
33 ASN ARG PRO ILE LEU SER LEU 0.417266 0.805556
34 ACE MET GLN SER TPO PRO LEU NH2 0.417266 0.835616
35 PRO GLU PRO THR ALA PRO PRO GLU GLU 0.417266 0.863636
36 ARG PRO LYS PRO LEU VAL ASP PRO 0.416667 0.742857
37 ARG GLN ALA SEP ILE GLU LEU PRO SER MET 0.416667 0.818182
38 VAL PRO LEU ARG PRO MET THR TYR 0.415584 0.826667
39 SER SER GLY LYS VAL PRO LEU SER 0.414815 0.921875
40 ALA MET ALA PRO ARG THR LEU LEU LEU 0.412587 0.833333
41 LEU SER SER PRO VAL THR LYS SER PHE 0.412162 0.850746
42 LYS PRO SEP GLN GLU LEU 0.410853 0.763889
43 GLY MET PRO ARG GLY ALA 0.407407 0.788732
44 GLN PRO PRO VAL PRO PRO GLN ARG PRO MET 0.405405 0.842857
45 TYR LEU GLU PRO GLY PRO VAL THR ALA 0.403974 0.855072
46 TYR LEU GLU PRO GLY PRO VAL THR VAL 0.403974 0.855072
47 GLU LEU PRO LEU VAL LYS ILE 0.402878 0.815385
48 ILE LEU LYS GLU PRO VAL HIS GLY VAL 0.401274 0.782609
49 GLU PTR LEU GLY LEU ASP VAL PRO VAL 0.4 0.8125
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 with APoc: 24
This union binding pocket(no: 1) in the query (biounit: 5hda.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 1M5B BN1 None
2 2GN4 UD1 None
3 4B0H DUR None
4 2WSB NAD None
5 3R35 4CO None
6 2JAR UMP None
7 1IY8 NAD None
8 5KHD C2E None
9 6DQU GLY ILE ILE ASN THR LEU 3.22581
10 3G6K FAD 4.83871
11 3G6K POP 4.83871
12 3EWK FAD 6.45161
13 2Z23 LYS LYS LYS 6.45161
14 2XCF BBQ 6.45161
15 1T7Q COA 7.25806
16 1T7Q 152 7.25806
17 2XCG XCG 7.25806
18 3BWN PMP PHE 8.06452
19 4UHL VFV 8.87097
20 3JQ3 ADP 9.67742
21 1U1B PAX 11.2903
22 3P8N L4T 12.9032
23 3IPQ 965 20
24 5GWT SIN 37.0968
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