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Receptor
PDB id Resolution Class Description Source Keywords
3QP4 1.55 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF CVIR LIGAND-BINDING DOMAIN BOUND TO C10 CHROMOBACTERIUM VIOLACEUM QUORUM SENSING AGONIST ANTAGONIST LUXR ACYLATED HOMOSERILACTONE TRANSCRIPTION FACTOR DNA BINDING PROTEIN LIGAND DOMAIN N-DECANOYL-L-HOMOSERINE LACTONE TRANSCRIPTION
Ref.: A STRATEGY FOR ANTAGONIZING QUORUM SENSING. MOL.CELL V. 42 199 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HL0 A:1;
Valid;
none;
submit data
255.353 C14 H25 N O3 CCCCC...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3QP4 1.55 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF CVIR LIGAND-BINDING DOMAIN BOUND TO C10 CHROMOBACTERIUM VIOLACEUM QUORUM SENSING AGONIST ANTAGONIST LUXR ACYLATED HOMOSERILACTONE TRANSCRIPTION FACTOR DNA BINDING PROTEIN LIGAND DOMAIN N-DECANOYL-L-HOMOSERINE LACTONE TRANSCRIPTION
Ref.: A STRATEGY FOR ANTAGONIZING QUORUM SENSING. MOL.CELL V. 42 199 2011
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 291 families.
1 3QP4 - HL0 C14 H25 N O3 CCCCCCCCCC....
2 3QP1 - HL6 C10 H17 N O3 CCCCCC(=O)....
3 3QP2 - HTF C12 H21 N O3 CCCCCCCC(=....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 3QP4 - HL0 C14 H25 N O3 CCCCCCCCCC....
2 3QP1 - HL6 C10 H17 N O3 CCCCCC(=O)....
3 3QP2 - HTF C12 H21 N O3 CCCCCCCC(=....
4 3QP8 - HL0 C14 H25 N O3 CCCCCCCCCC....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 3QP4 - HL0 C14 H25 N O3 CCCCCCCCCC....
2 3QP1 - HL6 C10 H17 N O3 CCCCCC(=O)....
3 3QP2 - HTF C12 H21 N O3 CCCCCCCC(=....
4 3QP8 - HL0 C14 H25 N O3 CCCCCCCCCC....
5 3QP6 - HL6 C10 H17 N O3 CCCCCC(=O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: HL0; Similar ligands found: 10
No: Ligand ECFP6 Tc MDL keys Tc
1 HL0 1 1
2 HTF 1 1
3 EWM 1 1
4 HL6 0.844444 0.97619
5 OHN 0.672727 0.913043
6 3M5 0.672727 0.913043
7 HL4 0.659574 0.904762
8 HT5 0.6 0.72
9 A9M 0.442308 0.625
10 140 0.407407 0.680851
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3QP4; Ligand: HL0; Similar sites found with APoc: 108
This union binding pocket(no: 1) in the query (biounit: 3qp4.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 5NNT DPV None
2 4WVW SLT None
3 5DLY 5D7 None
4 1AOE GW3 None
5 1AOE NDP None
6 3BRN SRO None
7 1DTL BEP None
8 1DZK PRZ None
9 5N8V KZZ None
10 3E8N VRA 1.0989
11 3E8N ATP 1.0989
12 4K26 SFF 1.64835
13 4XT8 TMQ 1.64835
14 3KFC 61X 1.64835
15 2Q7D ANP 1.64835
16 3NWQ 2NC 2.0202
17 1M2Z BOG 2.1978
18 4OIV XX9 2.1978
19 5L7G 6QE 2.1978
20 2P7Q GG6 2.25564
21 4OMJ 2TX 2.74725
22 4P42 PEE 2.74725
23 2R5V HHH 3.08123
24 2EVL GAL SPH EIC 3.2967
25 2OBF F83 3.2967
26 5DQW ADP 3.2967
27 3ZGJ RMN 3.2967
28 5DX3 EST 3.2967
29 5DXG EST 3.2967
30 1SR7 MOF 3.84615
31 4V24 GYR 3.84615
32 2IF8 ADP 3.84615
33 4Y30 49L 3.84615
34 4Y30 SAH 3.84615
35 3F5K CE5 3.84615
36 5UGW GSH 4
37 5NLD LBT 4.31655
38 2W9S TOP 4.34783
39 3HPY MCT 4.3956
40 5Y79 3PG 4.3956
41 5CAD PCA 4.3956
42 5M36 9SZ 4.3956
43 3ZX4 2M8 4.3956
44 6BR8 6OU 4.3956
45 6CGN DA 4.3956
46 2BCG GER 4.3956
47 4TVD BGC 4.3956
48 6BR8 PGV 4.3956
49 5A89 FMN 4.48718
50 5A89 ADP 4.48718
51 4JYM KKN 4.94506
52 3UDZ ADP 4.94506
53 1NX4 AKG 5.49451
54 4OJ8 AKG 5.49451
55 4LAE 1VM 5.49451
56 4LAE NAP 5.49451
57 3W6G FLC 6.04396
58 2AIB ERG 6.12245
59 1D1G MTX 6.54762
60 4M51 BEZ 6.59341
61 3CV2 OXL 6.59341
62 3KDJ A8S 6.59341
63 3DFR MTX 6.79012
64 5FQK 6NT 7.14286
65 1GEG GLC 7.14286
66 1KPG 16A 7.14286
67 6FL8 TIY 7.14286
68 6FL8 ADP 7.14286
69 5N18 8HZ 7.33945
70 3KO0 TFP 7.92079
71 3CH6 311 8.24176
72 3CH6 NAP 8.24176
73 4RJD TFP 9.09091
74 5TIV A3P 9.34066
75 6B5G CQY 9.34066
76 1JQ5 NAD 9.89011
77 5BYK OAQ 10.4396
78 5BYK A3P 10.4396
79 2H7C COA 10.989
80 5JNN 6LM 10.989
81 5HCY 60D 10.989
82 2R40 EPH 10.989
83 2QJY UQ2 11.2299
84 5WIU AQD 11.5385
85 1OW4 2AN 11.6279
86 3CXH SMA 12.0879
87 4WVO 3UZ 13.1868
88 4DS8 A8S 13.1868
89 5JO1 6LM 13.1868
90 6E1Q CFA 13.7363
91 5AHS SIN 13.7363
92 3OJI PYV 14.2857
93 3VVY ET 14.2857
94 1O5R FR9 14.2857
95 3RUG DB6 14.8352
96 4JX1 CAM 15.0442
97 5TVM PUT 15.3846
98 3TDC 0EU 15.9341
99 3UB7 ACM 16.5746
100 4L80 OXL 17.033
101 4LA7 A1O 17.5824
102 3HDY FDA 20.8791
103 3HDY GDU 20.8791
104 3HDY FAD 20.8791
105 5W97 CHD 21.4286
106 5ZCO CHD 21.4286
107 4WGF HX2 21.4286
108 5Z84 CHD 21.4286
Pocket No.: 2; Query (leader) PDB : 3QP4; Ligand: HL0; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3qp4.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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