Receptor
PDB id Resolution Class Description Source Keywords
6DYR 2.45 Å NON-ENZYME: OTHER C-TERMINAL CONDENSATION DOMAIN OF EBONY IN COMPLEX WITH CARC DROSOPHILA MELANOGASTER NRPS CONDENSATION DOMAIN PEPTIDE-BOND FORMATION BIOSYNTHEPROTEIN
Ref.: DROSOPHILA MELANOGASTERNONRIBOSOMAL PEPTIDE SYNTHET ENCODES AN ATYPICAL CONDENSATION DOMAIN. PROC. NATL. ACAD. SCI. V. 116 2913 2019 U.S.A.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HJD A:901;
 Valid;
 none;
 Kd = 218.6 uM
182.223 C8 H14 N4 O c1c([...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6DYS 2.3 Å NON-ENZYME: OTHER C-TERMINAL CONDENSATION DOMAIN OF EBONY IN COMPLEX WITH BETA DOPAMINE DROSOPHILA MELANOGASTER NRPS CONDENSATION DOMAIN PEPTIDE-BOND FORMATION BIOSYNTHEPROTEIN
Ref.: DROSOPHILA MELANOGASTERNONRIBOSOMAL PEPTIDE SYNTHET ENCODES AN ATYPICAL CONDENSATION DOMAIN. PROC. NATL. ACAD. SCI. V. 116 2913 2019 U.S.A.
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 6DYR Kd = 218.6 uM HJD C8 H14 N4 O c1c([nH]cn....
2 6DYN Kd = 638.9 uM HSM C5 H9 N3 c1c(nc[nH]....
3 6DYS Kd = 56.4 uM HJ1 C11 H16 N2 O3 c1cc(c(cc1....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 6DYR Kd = 218.6 uM HJD C8 H14 N4 O c1c([nH]cn....
2 6DYN Kd = 638.9 uM HSM C5 H9 N3 c1c(nc[nH]....
3 6DYS Kd = 56.4 uM HJ1 C11 H16 N2 O3 c1cc(c(cc1....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 6DYR Kd = 218.6 uM HJD C8 H14 N4 O c1c([nH]cn....
2 6DYN Kd = 638.9 uM HSM C5 H9 N3 c1c(nc[nH]....
3 6DYS Kd = 56.4 uM HJ1 C11 H16 N2 O3 c1cc(c(cc1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: HJD; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 HJD 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: HJD; Similar ligands found: 104
No: Ligand Similarity coefficient
1 N9M 0.9248
2 ARG 0.9205
3 J4K 0.9182
4 F63 0.9177
5 HAR 0.9118
6 8AC 0.9114
7 6FG 0.9078
8 3S9 0.9071
9 N8C 0.9061
10 6C4 0.9051
11 HLP 0.9042
12 U4G 0.9040
13 T03 0.9031
14 KLS 0.9027
15 KNA 0.9021
16 DKA 0.9021
17 CLT 0.9021
18 0OO 0.9018
19 OCA 0.9014
20 M1T 0.9006
21 ILO 0.8998
22 7XA 0.8996
23 3VR 0.8991
24 KPV 0.8982
25 11X 0.8979
26 4TB 0.8962
27 HRG 0.8951
28 GGG 0.8950
29 NFZ 0.8944
30 AHN 0.8943
31 LPA 0.8930
32 TPM 0.8928
33 OJD 0.8928
34 GB5 0.8917
35 TEG 0.8907
36 OKS 0.8902
37 S0B 0.8902
38 AHL 0.8898
39 ENV 0.8897
40 JF5 0.8894
41 GGB 0.8894
42 EQW 0.8893
43 1PS 0.8892
44 JX7 0.8891
45 PML 0.8886
46 64Z 0.8882
47 GVA 0.8874
48 ENW 0.8873
49 ZE7 0.8869
50 KAP 0.8853
51 MKN 0.8852
52 SPD 0.8849
53 2J3 0.8846
54 MGB 0.8838
55 DAR 0.8813
56 5UF 0.8810
57 4Z0 0.8809
58 BOW 0.8793
59 4JK 0.8784
60 9OD 0.8769
61 T07 0.8764
62 5LD 0.8760
63 CIR 0.8756
64 ALY 0.8753
65 3GZ 0.8753
66 5DL 0.8751
67 GLY GLY GLY 0.8750
68 OJM 0.8749
69 3CX 0.8749
70 YIH 0.8732
71 5O5 0.8732
72 LZ5 0.8732
73 9J6 0.8727
74 OGY 0.8725
75 EGV 0.8710
76 DAO 0.8701
77 5NR 0.8701
78 XRX 0.8692
79 MLZ 0.8692
80 TZP 0.8684
81 IAR 0.8678
82 I58 0.8668
83 58X 0.8663
84 D10 0.8655
85 HPK 0.8645
86 HJ1 0.8640
87 011 0.8636
88 NNH 0.8636
89 4DI 0.8630
90 JFM 0.8628
91 N08 0.8624
92 SB7 0.8621
93 3H2 0.8617
94 DA2 0.8606
95 JOT 0.8589
96 3KJ 0.8584
97 LN6 0.8572
98 FXY 0.8570
99 5RP 0.8570
100 ODI 0.8558
101 HPO 0.8554
102 S7S 0.8546
103 F90 0.8534
104 OOG 0.8518
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6DYS; Ligand: HJ1; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 6dys.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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