Receptor
PDB id Resolution Class Description Source Keywords
1LPD 1.7 Å EC: 3.2.2.22 HIGH RESOLUTION STRUCTURE OF RECOMBINANT DIANTHIN ANTIVIRAL PROTEIN-POTENT ANTI-HIV AGENT (COMPLEX WITH ADENINE) DIANTHUS CARYOPHYLLUS DIANTHIN ANTIVIRAL PROTEIN RIBOSOME INACTIVATING PROTEIN ANTI-HIV AGENT HIV-1 INTEGRASE INHIBITOR POLYNUCLEOTIDE:ADENOSINE GLYCOSIDASE
Ref.: HIGH RESOLUTION X-RAY STRUCTURE AND POTENT ANTI-HIV ACTIVITY OF RECOMBINANT DIANTHIN ANTIVIRAL PROTEIN. ARZNEIMITTELFORSCHUNG V. 54 692 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADE A:901;
Valid;
none;
submit data
135.127 C5 H5 N5 c1[nH...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1LPD 1.7 Å EC: 3.2.2.22 HIGH RESOLUTION STRUCTURE OF RECOMBINANT DIANTHIN ANTIVIRAL PROTEIN-POTENT ANTI-HIV AGENT (COMPLEX WITH ADENINE) DIANTHUS CARYOPHYLLUS DIANTHIN ANTIVIRAL PROTEIN RIBOSOME INACTIVATING PROTEIN ANTI-HIV AGENT HIV-1 INTEGRASE INHIBITOR POLYNUCLEOTIDE:ADENOSINE GLYCOSIDASE
Ref.: HIGH RESOLUTION X-RAY STRUCTURE AND POTENT ANTI-HIV ACTIVITY OF RECOMBINANT DIANTHIN ANTIVIRAL PROTEIN. ARZNEIMITTELFORSCHUNG V. 54 692 2004
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 1LPD - ADE C5 H5 N5 c1[nH]c2c(....
2 1LPC - CMP C10 H12 N5 O6 P c1nc(c2c(n....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 1LPD - ADE C5 H5 N5 c1[nH]c2c(....
2 1LPC - CMP C10 H12 N5 O6 P c1nc(c2c(n....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 2QES - ADE C5 H5 N5 c1[nH]c2c(....
2 1LPD - ADE C5 H5 N5 c1[nH]c2c(....
3 1J1R - ADE C5 H5 N5 c1[nH]c2c(....
4 1QCJ - APT C14 H13 N6 O3 c1cc(ccc1C....
5 3HIT Ki = 6.4 nM DYN C30 H47 N10 O17 P3 CO[C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ADE; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 ADE 1 1
2 PM6 0.5 0.742857
3 ES4 0.463415 0.685714
4 6AP 0.428571 0.9375
5 XQG 0.422222 0.648649
6 M02 0.411765 0.630435
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1LPD; Ligand: ADE; Similar sites found: 46
This union binding pocket(no: 1) in the query (biounit: 1lpd.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5ETR APC 0.02433 0.41093 None
2 5ETR 5RW 0.02433 0.41093 None
3 4OHU NAD 0.02252 0.43053 1.1811
4 4OHU 2TK 0.02252 0.43053 1.1811
5 2C29 DQH 0.02385 0.42092 1.1811
6 2C29 NAP 0.03135 0.4146 1.1811
7 1W2Y DUN 0.006321 0.42518 1.31004
8 1GHE ACO 0.01633 0.40816 1.69492
9 3FS1 MYR 0.01358 0.40158 1.73913
10 3KDU NKS 0.006737 0.44401 2.3622
11 2J5V PCA 0.01126 0.42531 2.3622
12 2P2V CSF 0.01403 0.41142 2.3622
13 1TMM APC 0.01774 0.41326 2.53165
14 1TMM HHR 0.02272 0.40655 2.53165
15 3TMK T5A 0.02979 0.40059 2.77778
16 2BVL UDP 0.01197 0.41485 3.14961
17 2BVL GLC 0.01197 0.41485 3.14961
18 5MIL DUP 0.003933 0.42943 3.46535
19 4USR FAD 0.03503 0.40274 3.54331
20 4Y7U 2KH 0.01137 0.42173 3.8961
21 1N62 MCN 0.02614 0.41243 3.93701
22 1D4D FAD 0.0397 0.40913 3.93701
23 3B9Z CO2 0.0127 0.40802 4.72441
24 4AIA ADK 0.00778 0.42291 4.78723
25 2GJ3 FAD 0.01289 0.40653 5
26 5UC9 MYR 0.008377 0.40927 5.30973
27 2FP2 TSA 0.01617 0.40175 5.42169
28 4C3Y FAD 0.0154 0.42828 5.51181
29 4C3Y ANB 0.02022 0.42719 5.51181
30 1FIQ MTE 0.03039 0.40257 6.39269
31 1FIQ SAL 0.03364 0.40257 6.39269
32 5L01 6Z4 0.01321 0.41116 6.69291
33 1FFU CDP 0.03209 0.40968 7.48031
34 4CNG SAH 0.01441 0.4152 8.26772
35 5AO7 AH0 NAG 0.01679 0.40602 8.26772
36 5AO7 NAG 0.01557 0.40602 8.26772
37 2APC UDM 0.01768 0.40162 8.47953
38 5BUK FAD 0.01272 0.43622 8.66142
39 2VG1 FPP 0.01519 0.40973 8.77193
40 4USQ FAD 0.01137 0.42902 9.44882
41 3NW7 LGV 0.04184 0.4079 9.44882
42 4A1O JLN 0.01946 0.40438 9.84252
43 3HRD MCN 0.01637 0.42088 11.811
44 1XSE NDP 0.02021 0.42209 12.9921
45 3E1T FAD 0.01066 0.43939 13.7795
46 1O5O U5P 0.0118 0.40019 15.8371
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