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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 (3)
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(....
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 with APoc: 81
This union binding pocket(no: 1) in the query (biounit: 1lpd.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 6B5Q PPI CZS 2KY MLY 1XY None
2 5ETR 5RW None
3 5ETR APC None
4 4OHU 2TK 1.1811
5 4OHU NAD 1.1811
6 2C29 DQH 1.1811
7 2C29 NAP 1.1811
8 1W2Y DUN 1.31004
9 1GHE ACO 1.69492
10 3FS1 MYR 1.73913
11 4DDY DN6 1.9685
12 2J5V PCA 2.3622
13 3KDU NKS 2.3622
14 3ZOK GLY 2.3622
15 2P2V CSF 2.3622
16 1UU1 PMP HSA 2.3622
17 1TMM APC 2.53165
18 1TMM HHR 2.53165
19 4JZ8 CIT 2.75591
20 3TMK T5A 2.77778
21 2BHW NEX 3.01724
22 4LIK CIT 3.14961
23 5XVR TRH 3.14961
24 2BVL GLC 3.14961
25 2BVL UDP 3.14961
26 5J6D 6H5 3.14961
27 5MYD DUP 3.38164
28 5URY PAM 3.42466
29 5MIL DUP 3.46535
30 6F97 FAD 3.54331
31 4LRL TTP 3.54331
32 4USR FAD 3.54331
33 4Y7U 2KH 3.8961
34 5AK0 8V1 3.93701
35 1N62 MCN 3.93701
36 4G86 BNT 3.93701
37 1D4D FAD 3.93701
38 5AIP 4HP 4.10959
39 1V97 MTE 4.33071
40 1W4R TTP 4.61538
41 3B9Z CO2 4.72441
42 4AIA ADK 4.78723
43 2GJ3 FAD 5
44 5UC9 MYR 5.30973
45 2FP2 TSA 5.42169
46 1PU7 39A 5.50459
47 4C3Y FAD 5.51181
48 4C3Y ANB 5.51181
49 5ZB0 TYD 6.06061
50 5ZB0 ADP 6.06061
51 1FIQ SAL 6.39269
52 1FIQ MTE 6.39269
53 1MID LAP 6.59341
54 5L01 6Z4 6.69291
55 1JQ3 AAT 6.69291
56 1OVD FMN 7.08661
57 1OVD ORO 7.08661
58 1FFU CDP 7.48031
59 3KO0 TFP 7.92079
60 2QZT PLM 8.10811
61 4CNG SAH 8.26772
62 2APC UDM 8.47953
63 3NRZ HPA 8.53659
64 5BUK FAD 8.66142
65 2VG1 FPP 8.77193
66 2Y31 SMQ 9.05512
67 4USQ FAD 9.44882
68 3NW7 LGV 9.44882
69 4A1O JLN 9.84252
70 2CHT TSA 11.0236
71 3HRD MCN 11.811
72 3CXH SMA 12.5
73 4ZOH MCN 12.5984
74 1XPJ TLA 12.6984
75 1XSE NDP 12.9921
76 3E1T FAD 13.7795
77 5XFV FMN 13.7795
78 1T0S BML 13.9535
79 1O5O U5P 15.8371
80 6C0B MLI 20.0787
81 5Z3I ADE 39.7638
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