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Receptor
PDB id Resolution Class Description Source Keywords
3QP6 2 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF CVIR (CHROMOBACTERIUM VIOLACEUM 12472) C6-HSL CHROMOBACTERIUM VIOLACEUM QUORUM SENSING AGONIST ANTAGONIST LUXR ACYLATED HOMOSERILACTONE TRANSCRIPTION FACTOR DNA BINDING PROTEIN LIGAND DOMAIN SIGNAL RECEPTOR N-HEXANOYL-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
HL6 A:266;
Valid;
none;
submit data
199.247 C10 H17 N O3 CCCCC...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3QP6 2 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF CVIR (CHROMOBACTERIUM VIOLACEUM 12472) C6-HSL CHROMOBACTERIUM VIOLACEUM QUORUM SENSING AGONIST ANTAGONIST LUXR ACYLATED HOMOSERILACTONE TRANSCRIPTION FACTOR DNA BINDING PROTEIN LIGAND DOMAIN SIGNAL RECEPTOR N-HEXANOYL-L-HOMOSERINE LACTONE TRANSCRIPTION
Ref.: A STRATEGY FOR ANTAGONIZING QUORUM SENSING. MOL.CELL V. 42 199 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 291 families.
1 3QP6 - HL6 C10 H17 N O3 CCCCCC(=O)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 3QP6 - HL6 C10 H17 N O3 CCCCCC(=O)....
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: HL6; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 HL6 1 1
2 HTF 0.844444 0.97619
3 EWM 0.844444 0.97619
4 HL0 0.844444 0.97619
5 HL4 0.704545 0.926829
6 3M5 0.589286 0.891304
7 OHN 0.589286 0.891304
8 HT5 0.491228 0.7
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3QP6; Ligand: HL6; Similar sites found with APoc: 62
This union binding pocket(no: 1) in the query (biounit: 3qp6.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 1QKQ MAN None
2 5L7G 6QE 1.50943
3 1I7M PUT 1.88679
4 5FWE OGA 2.26415
5 2OS2 OGA 2.26415
6 2Q8E OGA 2.26415
7 5LY2 OGA 2.26415
8 2P5B OGA 2.26415
9 2YBP 2HG 2.26415
10 5OSW DIU 2.64151
11 1NX4 AKG 2.64151
12 1EB9 HBA 2.67176
13 5WGQ EST 2.68199
14 5N0O HSE 3.01887
15 2VWT PYR 3.01887
16 1N07 FMN 3.06748
17 2I0G I0G 3.11284
18 5TZO 7V7 3.19149
19 3UB7 ACM 3.31492
20 5EZU MYR 3.37079
21 3HPY MCT 3.39623
22 1TZD ADP 3.39623
23 4Y9T PA1 3.39623
24 5TBM 79A 3.4188
25 5W10 CMP 3.58974
26 5NLD LBT 3.59712
27 2ZMF CMP 3.7037
28 2W9S TOP 4.34783
29 5A89 FMN 4.48718
30 5A89 ADP 4.48718
31 4ZJS 4P0 4.78261
32 4D52 GXL 4.90566
33 3OPT AKG 4.90566
34 2R5V HHH 5.04202
35 3H2K BOG 5.28302
36 5EO8 TFU 5.28302
37 1TT8 PHB 5.4878
38 3FW4 CAQ 5.61798
39 5GLT BGC GAL NAG GAL 5.66038
40 5KR7 6X9 5.66038
41 5DXG EST 5.74713
42 3UU7 2OH 5.9761
43 2IF8 ADP 6.03774
44 1DTL BEP 6.21118
45 3UDZ ADP 6.79245
46 3VSV XYP 7.16981
47 4L80 OXL 7.16981
48 1Z03 OCH 7.92453
49 1NB9 ADP 8.16327
50 1NB9 RBF 8.16327
51 1GQG DCD 8.30189
52 1YIQ PQQ 9.0566
53 5I8T LAC 9.49721
54 4RYV ZEA 9.67742
55 4OIV XX9 9.73451
56 2HZQ STR 11.4943
57 4LAX FK5 12.4528
58 2VQ5 HBA 13.4328
59 4LA7 A1O 13.9896
60 1S4M LUM 14.717
61 2QL9 CIT 20.6186
62 4INB 1F6 23.2877
Pocket No.: 2; Query (leader) PDB : 3QP6; Ligand: HL6; 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: 3qp6.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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