Receptor
PDB id Resolution Class Description Source Keywords
5AUL 1.1 Å NON-ENZYME: SIGNAL_HORMONE PI3K P85 C-TERMINAL SH2 DOMAIN/CD28-DERIVED PEPTIDE COMPLEX HOMO SAPIENS ANTIGENS PHOSPHOPEPTIDES SIGNALING PROTEIN
Ref.: CRYSTAL STRUCTURES AND THERMODYNAMIC ANALYSIS REVEA DISTINCT MECHANISMS OF CD28 PHOSPHOPEPTIDE BINDING SRC HOMOLOGY 2 (SH2) DOMAINS OF THREE ADAPTOR PROTE J. BIOL. CHEM. V. 292 1052 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:801;
 Invalid;
 none;
 submit data
92.094 C3 H8 O3 C(C(C...
SER ASP PTR MET ASN MET THR PRO B:190;
 Valid;
 Atoms found MORE than expected: % Diff = 1.029;
 submit data
1035.04 n/a S(CCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5AUL 1.1 Å NON-ENZYME: SIGNAL_HORMONE PI3K P85 C-TERMINAL SH2 DOMAIN/CD28-DERIVED PEPTIDE COMPLEX HOMO SAPIENS ANTIGENS PHOSPHOPEPTIDES SIGNALING PROTEIN
Ref.: CRYSTAL STRUCTURES AND THERMODYNAMIC ANALYSIS REVEA DISTINCT MECHANISMS OF CD28 PHOSPHOPEPTIDE BINDING SRC HOMOLOGY 2 (SH2) DOMAINS OF THREE ADAPTOR PROTE J. BIOL. CHEM. V. 292 1052 2017
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 289 families.
1 5AUL - SER ASP PTR MET ASN MET THR PRO n/a n/a
2 1H9O - PTR VAL PRO MET 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 214 families.
1 5AUL - SER ASP PTR MET ASN MET THR PRO n/a n/a
2 1H9O - PTR VAL PRO MET LEU n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 5AUL - SER ASP PTR MET ASN MET THR PRO n/a n/a
2 1H9O - PTR VAL PRO MET LEU n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: SER ASP PTR MET ASN MET THR PRO; Similar ligands found: 55
No: Ligand ECFP6 Tc MDL keys Tc
1 SER ASP PTR MET ASN MET THR PRO 1 1
2 ASP GLY PTR MET PRO 0.590909 0.92
3 GLU VAL PTR GLU SER PRO 0.577778 0.894737
4 THR PRO TYR ASP ILE ASN GLN MET LEU 0.525641 0.857143
5 ACE ASP PTR ALA GLU PRO MET ASP ALA NH2 0.519481 0.907895
6 SER PHE PHE GLU ASP ASN PHE VAL PRO GLU 0.517483 0.769231
7 ALA PRO SER PTR VAL ASN VAL GLN ASN 0.509934 0.909091
8 SER ARG ASP HIS SER ARG THR PRO MET 0.503067 0.804878
9 PTR VAL PRO MET LEU 0.5 0.881579
10 ILE MET ASP GLN VAL PRO PHE SER VAL 0.490566 0.818182
11 ASP ILE ASN TYS TYS THR SER GLU PRO 0.490066 0.825581
12 SER PTR VAL ASN VAL GLN ASN 0.489051 0.75
13 ASP ILE ASN TYR TYR THR SER GLU PRO 0.48366 0.820513
14 ILE SER TYR GLY ASN ASP ALA LEU MET PRO 0.481707 0.883117
15 GLN ILE MET TYR ASN TYR PRO ALA MET 0.475 0.810127
16 GLN ASN GLY PTR GLU ASN PRO THR TYR 0.467532 0.906667
17 ASP GLU PTR GLU ASN VAL ASP 0.467153 0.697368
18 THR PRO GLN ASP LEU ASN THR MET LEU 0.466667 0.815789
19 GLN MET PRO THR GLU ASP GLU TYR 0.464968 0.855263
20 LYS PRO PHE PTR VAL ASN VAL NH2 0.462025 0.835443
21 ASP ILE ASN TYR TYR ALA SER GLU PRO 0.461538 0.820513
22 LYS PRO PHE PTR VAL ASN VAL GLU PHE 0.461078 0.848101
23 SER PRO ILE VAL PRO SER PHE ASP MET 0.459119 0.820513
24 6NA PTR VAL ASN VAL 9PR 0.456376 0.860759
25 LEU PRO PHE ASP LYS THR THR ILE MET 0.451219 0.807692
26 ASP PHE ALA ASN THR PHE LEU PRO 0.450331 0.769231
27 LEU PRO PHE ASP LYS SER THR ILE MET 0.449704 0.820513
28 PRO GLN PTR GLU GLU ILE PRO ILE 0.449367 0.844156
29 ASP TYR ILE ASN THR ASN VAL LEU PRO 0.448052 0.805195
30 LEU PRO PHE ASP ARG THR THR ILE MET 0.446429 0.771084
31 ASP PHE GLU GLU ILE PRO GLY GLU PTR 0.446429 0.835443
32 ARG THR TYR SEP GLY PRO MET ASN LYS VAL 0.440217 0.914634
33 ILE THR ASP GLN VAL PRO PHE SER VAL 0.438272 0.779221
34 GLU GLY GLN PTR GLN PRO GLN PRO ALA 0.4375 0.828947
35 PRO GLN PTR GLU PTR ILE PRO ALA 0.4375 0.822785
36 ACE GLN PM3 GLU GLU ILE PRO 0.425676 0.766234
37 PRO GLN PTR ILE PTR VAL PRO ALA 0.425 0.8125
38 TYR MET PHE PRO ASN ALA PRO TYR LEU 0.424242 0.8125
39 SER THR SEP PRO THR PHE ASN LYS 0.422619 0.868421
40 GLN ASN GLY PTR VAL ASN PRO THR TYR 0.421384 0.884615
41 ACE GLU LEU LEU MET VAL PRO ASP MET TYR 0.421384 0.815789
42 LEU ASN PHE PRO ILE SER PRO 0.416107 0.782051
43 ALA SER ASN GLU ASP MET GLU THR MET 0.416058 0.666667
44 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 0.410112 0.886076
45 LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.409836 0.72619
46 GLN TYR PHE MET TPO GLU PTR VAL ALA 0.409357 0.794872
47 SER LEU PHE HIS 22G THR PRO 0.408046 0.777778
48 ASN ASP THR SER GLN THR SER SER PRO SER OPE 0.406061 0.868421
49 ASP ILE ALA TYR TYR THR SER GLU PRO 0.403846 0.807692
50 PHE ASN PHE PRO GLN ILE THR 0.403846 0.75641
51 ACE LEU TYR ALA SER SER ASN PRO ALA PTR 0.403614 0.898734
52 ARG VAL ILE PTR PHE VAL PRO LEU ASN ARG 0.402685 0.78481
53 ARG MET PHE PRO ASN ALA PRO TYR LEU 0.40113 0.788235
54 SER LEU LYS ILE ASP ASN MET ASP 0.4 0.662338
55 GLU PHE SER PRO 0.4 0.72
Similar Ligands (3D)
Ligand no: 1; Ligand: SER ASP PTR MET ASN MET THR PRO; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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