Receptor
PDB id Resolution Class Description Source Keywords
3GJF 1.9 Å NON-ENZYME: IMMUNE RATIONAL DEVELOPMENT OF HIGH-AFFINITY T-CELL RECEPTOR-LIKE ANTIBODIES HOMO SAPIENS MHC PEPTIDE ANTIBODY DISULFIDE BOND GLYCOPROTEIN HOST- VIRUS INTERACTION IMMUNE RESPONSE MEMBRANE MHC I PHOSPHOPROTEIN POLYMORPHISM TRANSMEMBRANE UBL CONJUGATION DISEASE MUTATION GLYCATION IMMUNOGLOBULIN DOMAIN PYRROLIDONE CARBOXYLIC ACID SECRETED IMMUNE SYSTE
Ref.: RATIONAL DEVELOPMENT OF HIGH-AFFINITY T-CELL RECEPTOR-LIKE ANTIBODIES PROC.NATL.ACAD.SCI.USA V. 106 5784 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SER LEU LEU MET TRP ILE THR GLN VAL C:1;
F:1;
Valid;
Valid;
none;
none;
Kd = 46 nM
1075.36 n/a S(CCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3GJF 1.9 Å NON-ENZYME: IMMUNE RATIONAL DEVELOPMENT OF HIGH-AFFINITY T-CELL RECEPTOR-LIKE ANTIBODIES HOMO SAPIENS MHC PEPTIDE ANTIBODY DISULFIDE BOND GLYCOPROTEIN HOST- VIRUS INTERACTION IMMUNE RESPONSE MEMBRANE MHC I PHOSPHOPROTEIN POLYMORPHISM TRANSMEMBRANE UBL CONJUGATION DISEASE MUTATION GLYCATION IMMUNOGLOBULIN DOMAIN PYRROLIDONE CARBOXYLIC ACID SECRETED IMMUNE SYSTE
Ref.: RATIONAL DEVELOPMENT OF HIGH-AFFINITY T-CELL RECEPTOR-LIKE ANTIBODIES PROC.NATL.ACAD.SCI.USA V. 106 5784 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 222 families.
1 3GJF Kd = 46 nM SER LEU LEU MET TRP ILE THR GLN VAL n/a n/a
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3GJF Kd = 46 nM SER LEU LEU MET TRP ILE THR GLN VAL n/a n/a
2 2ZPK - PRO ARG GLY TYR PRO GLY GLN VAL n/a n/a
3 3ZKN - WZV C20 H20 F3 N5 O3 C[C@]1(CC(....
4 1W72 Kd = 14 nM GLU ALA ASP PRO THR GLY HIS SER TYR n/a n/a
50% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3GJF Kd = 46 nM SER LEU LEU MET TRP ILE THR GLN VAL n/a n/a
2 2ZPK - PRO ARG GLY TYR PRO GLY GLN VAL n/a n/a
3 3NIF - NIF C11 H15 N5 O S CCC1=NN2C(....
4 3ZDY - GLY ARG GLY ASP SER PRO n/a n/a
5 3ZE2 - GLY ARG GLY ASP SER PRO n/a n/a
6 2VDR - LEU GLY GLY ALA LYS GLN ARG GLY ASP VAL n/a n/a
7 3WFD - AXO C2 H5 N O C/C=N/O
8 4XTR - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
9 1W72 Kd = 14 nM GLU ALA ASP PRO THR GLY HIS SER TYR n/a n/a
10 6ID4 Kd = 0.00000145 M ALA ILE PHE GLN SER SER MET THR LYS n/a n/a
11 5X2N - ALA C3 H7 N O2 C[C@@H](C(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SER LEU LEU MET TRP ILE THR GLN VAL; Similar ligands found: 67
No: Ligand ECFP6 Tc MDL keys Tc
1 SER LEU LEU MET TRP ILE THR GLN VAL 1 1
2 SER LEU LEU MET TRP ILE THR GLN ALA 0.848 0.983607
3 SER LEU LEU MET TRP ILE THR GLN LEU 0.846774 0.983607
4 SER LEU LEU MET TRP ILE THR GLN SER 0.84 0.983607
5 SER LEU LEU MET TRP ILE THR GLN CYS 0.820312 0.983607
6 SER SER THR ARG GLY ILE SER GLN LEU TRP 0.556962 0.811594
7 SER TRP PHE GLN THR ASP LEU 0.540541 0.870968
8 THR SER THR LEU GLN GLU GLN ILE GLY TRP 0.538961 0.888889
9 MET LEU TRP GLY TYR LEU GLN TYR VAL 0.516129 0.818182
10 ALA SER ASN GLU ASN TRP GLU THR MET 0.5 0.935484
11 ASP ASP TRP ASN TRP GLU VAL GLU ASP 0.496403 0.734375
12 THR SER ASN LEU GLN GLU GLN ILE GLY TRP 0.49375 0.875
13 ASP TRP GLU ILE VAL 0.492754 0.770492
14 MET LEU ILE TYR SER MET TRP GLY LYS 0.488235 0.867647
15 ALA ASN SER ARG TRP GLN THR SER ILE ILE 0.487654 0.797101
16 GLY LEU MET TRP LEU SER TYR PHE VAL 0.487179 0.863636
17 SER ARG TYR TRP ALA ILE ARG THR ARG 0.481707 0.75
18 ARG ARG ARG TRP ARG ARG LEU THR VAL 0.473333 0.768116
19 ALA ASN SER ARG TRP ALY THR SER ILE ILE 0.473054 0.788732
20 PHE GLN TRP MET GLY TYR GLU LEU TRP 0.46988 0.80597
21 LYS ARG TRP ILE ILE MET GLY LEU ASN LYS 0.468571 0.763889
22 VAL CYS TRP GLY GLU LEU MET ASN LEU 0.465839 0.859375
23 ASN GLN LEU ALA TRP PHE ASP THR ASP LEU 0.462963 0.822581
24 ALA ASN SER ARG TRP GLN ASP THR ARG LEU 0.460606 0.785714
25 ALA ASN SER ARG TRP GLN VAL THR ARG VAL 0.460526 0.782609
26 01W ARG TRP THR DAB MET LEU GLY 0.456647 0.678571
27 GLN GLU GLU TRP SEP THR VAL MET 0.45283 0.84058
28 TRP ASN TRP PHE ASP ILE THR ASN LYS 0.45283 0.78125
29 SER SER VAL ILE GLY VAL TRP TYR LEU 0.447205 0.830769
30 ARG LEU TRP SER 0.440559 0.735294
31 GLU LEU GLU LYS TRP ALA SER 0.437909 0.796875
32 GLU ALA THR GLN LEU MET ASN 0.435714 0.737705
33 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.433526 0.791045
34 LEU LEU GLU LEU ASP LYS TRP ALA NH2 0.431373 0.777778
35 LEU LEU TRP ASN GLY PRO MET ALA VAL 0.431034 0.75
36 SER SER VAL VAL GLY VAL TRP TYR LEU 0.427673 0.815385
37 LEU GLU LEU ASP LYS TRP ALA SER LEU 0.425926 0.857143
38 LYS GLN TRP ASP ASN TYR GLU PTR ILE TRP 0.424581 0.689189
39 SER PRO LEU ASP SER LEU TRP TRP ILE 0.424242 0.763889
40 MET GLU ASP TPO GLN MSE ILE ASP TRP ASP 0.421687 0.760563
41 GLY ILE TRP GLY PHE VAL PHE THR LEU 0.419753 0.8125
42 GLY LYS ILE SER LYS HIS TRP THR GLY ILE 0.417143 0.820895
43 LYS ARG TRP ILE ILE LEU GLY LEU ASN LYS 0.417143 0.708333
44 GLU PRO GLN ALA PRO TRP MET GLU 0.416667 0.708333
45 GLU PRO GLN ALA PRO TRP MET GLU GLN 0.416667 0.708333
46 SER LEU LYS LEU MET THR THR VAL 0.416058 0.746032
47 GLU LEU ASP ORN TRP ALA SER 0.414013 0.854839
48 SER VAL TYR ASP PHE PHE VAL TRP LEU 0.4125 0.828125
49 GLU LEU ASP LYS TRP ALA SER 0.411392 0.84127
50 GLU ALA ASP LYS TRP GLN SER 0.411392 0.78125
51 ALA ILE PHE GLN SER SER MET THR LYS 0.410256 0.796875
52 MET HIS PRO ALA GLN THR SER GLN TRP 0.409836 0.794521
53 GLU LEU ASP LYS TRP ALA ASN 0.408805 0.796875
54 GLU GLN ASP LYS TRP ALA SER 0.408805 0.78125
55 TYR SER THR CYS TYR PHE ILE MET 0.407895 0.809524
56 GLU LEU ASP HOX TRP ALA SER 0.40625 0.8125
57 GLU LEU ARG SER ARG TYR TRP ALA ILE 0.405714 0.777778
58 ACE ASN TRP GLU THR PHE 0.405229 0.765625
59 MET ASP TRP ASN MET HIS ALA ALA 0.404908 0.828125
60 GLU LEU ASP NRG TRP ALA SER 0.404762 0.679487
61 ALA THR ILE MET MET GLN ARG GLY 0.402985 0.65
62 MET ASN TRP ASN ILE 0.402878 0.758065
63 SER LEU LYS ILE ASP ASN MET ASP 0.401316 0.765625
64 GLU LEU ASP LYS TRP ALA GLY 0.401274 0.765625
65 GLY SER HIS LEU GLU VAL GLN GLY TYR TRP 0.401099 0.782609
66 PRO ALA THR ILE MET MET GLN ARG GLY ASN 0.4 0.666667
67 ALA LEU ASP LYS TRP ALA SER 0.4 0.84127
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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