Receptor
PDB id Resolution Class Description Source Keywords
5A2K 1.7 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF SCFV-SM3 IN COMPLEX WITH APD-TGALNAC-RP MUS MUSCULUS IMMUNE SYSTEM GLYCOPEPTIDES ANTIBODIES MOLECULAR RECOGNITCONFORMATION ANALYSIS FUSION PROTEIN
Ref.: DECIPHERING THE NON-EQUIVALENCE OF SERINE AND THREO O-GLYCOSYLATION POINTS: IMPLICATIONS FOR MOLECULAR RECOGNITION OF THE TN ANTIGEN BY AN ANTI-MUC1 ANTIB ANGEW.CHEM.INT.ED.ENGL. V. 54 9830 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO H:3007;
H:3005;
H:3002;
H:3006;
H:3001;
H:3004;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
ALA PRO ASP THR ARG PRO A2G P:1;
Valid;
Atoms found LESS than expected: % Diff = 0.017;
submit data
n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6FRJ 1.4 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF SCFV-SM3 IN COMPLEX WITH APD-SETHRGALNA MUS MUSCULUS IMMUNE SYSTEM GLYCOPEPTIDES ANTIBODIES MOLECULAR RECOGNITCONFORMATION ANALYSIS
Ref.: STRUCTURE-BASED DESIGN OF POTENT TUMOR-ASSOCIATED A MODULATION OF PEPTIDE PRESENTATION BY SINGLE-ATOM O O/SE SUBSTITUTIONS AT THE GLYCOSIDIC LINKAGE. J. AM. CHEM. SOC. V. 141 4063 2019
Members (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 5A2K - ALA PRO ASP THR ARG PRO A2G n/a n/a
2 6FRJ Kd = 141 uM ALA PRO ASP T9E ARG PRO NH2 A2G n/a n/a
3 5A2L - ALA PRO ASP CYS ARG PRO A2G n/a n/a
4 5A2I - ALA PRO ASP SER ARG PRO A2G n/a n/a
5 6FZR - ALA PRO ASP THR ARG PRO EEQ n/a n/a
6 6FZQ - ALA PRO ASP THR ARG PRO EEN n/a n/a
7 5A2J - ALA PRO ASP THR ARG PRO n/a n/a
8 5FXC - ALA PRO ASP THR ARG PRO n/a n/a
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 5A2K - ALA PRO ASP THR ARG PRO A2G n/a n/a
2 6FRJ Kd = 141 uM ALA PRO ASP T9E ARG PRO NH2 A2G n/a n/a
3 5A2L - ALA PRO ASP CYS ARG PRO A2G n/a n/a
4 5A2I - ALA PRO ASP SER ARG PRO A2G n/a n/a
5 6FZR - ALA PRO ASP THR ARG PRO EEQ n/a n/a
6 6FZQ - ALA PRO ASP THR ARG PRO EEN n/a n/a
7 5A2J - ALA PRO ASP THR ARG PRO n/a n/a
8 5FXC - ALA PRO ASP THR ARG PRO n/a n/a
50% Homology Family (19)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 4GQP Kd = 0.79 nM B40 C10 H15 N C[C@@H](Cc....
2 3GKZ Kd = 10 nM B40 C10 H15 N C[C@@H](Cc....
3 3GM0 Kd = 17 nM B41 C11 H15 N O2 C[C@@H](Cc....
4 5YD4 Kd = 13 uM ASP ILE ASN TYR TYR ALA SER GLU PRO n/a n/a
5 5YY4 Kd = 140 nM ASP ILE ASN TYS TYS THR SER GLU PRO n/a n/a
6 5YD3 Kd = 480 nM ASP ILE ASN TYR TYR THR SER GLU PRO n/a n/a
7 5YD5 Kd = 1.3 uM ASP ILE ALA TYR TYR THR SER GLU PRO n/a n/a
8 6QB9 - TLA C4 H6 O6 [C@@H]([C@....
9 4H0I - MMA C7 H14 O6 CO[C@@H]1[....
10 5VF2 - GLC GLC n/a n/a
11 5J75 Ki = 0.63 nM 6GQ C19 H24 N4 O3 S Cc1ccc(cc1....
12 5A2K - ALA PRO ASP THR ARG PRO A2G n/a n/a
13 6FRJ Kd = 141 uM ALA PRO ASP T9E ARG PRO NH2 A2G n/a n/a
14 5A2L - ALA PRO ASP CYS ARG PRO A2G n/a n/a
15 5A2I - ALA PRO ASP SER ARG PRO A2G n/a n/a
16 6FZR - ALA PRO ASP THR ARG PRO EEQ n/a n/a
17 6FZQ - ALA PRO ASP THR ARG PRO EEN n/a n/a
18 5A2J - ALA PRO ASP THR ARG PRO n/a n/a
19 5FXC - ALA PRO ASP THR ARG PRO n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ALA PRO ASP THR ARG PRO A2G; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: ALA PRO ASP THR ARG PRO A2G; 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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