Receptor
PDB id Resolution Class Description Source Keywords
1PEA 2.1 Å NON-ENZYME: TRANSCRIPT_TRANSLATE AMIDE RECEPTOR/NEGATIVE REGULATOR OF THE AMIDASE OPERON OF PSEUDOMONAS AERUGINOSA (AMIC) COMPLEXED WITH ACETAMIDE PSEUDOMONAS AERUGINOSA GENE REGULATOR RECEPTOR BINDING PROTEIN
Ref.: CRYSTAL STRUCTURE OF AMIC: THE CONTROLLER OF TRANSCRIPTION ANTITERMINATION IN THE AMIDASE OPERON OF PSEUDOMONAS AERUGINOSA. EMBO J. V. 13 5810 1994
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACM A:386;
Valid;
none;
submit data
59.067 C2 H5 N O CC(=O...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1PEA 2.1 Å NON-ENZYME: TRANSCRIPT_TRANSLATE AMIDE RECEPTOR/NEGATIVE REGULATOR OF THE AMIDASE OPERON OF PSEUDOMONAS AERUGINOSA (AMIC) COMPLEXED WITH ACETAMIDE PSEUDOMONAS AERUGINOSA GENE REGULATOR RECEPTOR BINDING PROTEIN
Ref.: CRYSTAL STRUCTURE OF AMIC: THE CONTROLLER OF TRANSCRIPTION ANTITERMINATION IN THE AMIDASE OPERON OF PSEUDOMONAS AERUGINOSA. EMBO J. V. 13 5810 1994
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 308 families.
1 1PEA - ACM C2 H5 N O CC(=O)N
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 266 families.
1 1PEA - ACM C2 H5 N O CC(=O)N
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 220 families.
1 1PEA - ACM C2 H5 N O CC(=O)N
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ACM; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 ACM 1 1
2 PYM 0.636364 0.6875
3 ROP 0.5 0.6875
4 TAY 0.461538 0.6875
Similar Ligands (3D)
Ligand no: 1; Ligand: ACM; Similar ligands found: 98
No: Ligand Similarity coefficient
1 SEY 1.0000
2 ACT 1.0000
3 AF3 0.9942
4 KCS 0.9933
5 IPA 0.9910
6 BEF 0.9900
7 2PO 0.9890
8 78T 0.9860
9 GOA 0.9599
10 ALA 0.9588
11 GLV 0.9554
12 F50 0.9543
13 FAH 0.9537
14 MGX 0.9529
15 NHY 0.9522
16 AGU 0.9498
17 HAE 0.9497
18 MCH 0.9484
19 PPI 0.9483
20 NMU 0.9481
21 HVB 0.9469
22 AKR 0.9469
23 NIE 0.9467
24 61G 0.9455
25 TSZ 0.9447
26 2A1 0.9409
27 VN4 0.9400
28 F3V 0.9389
29 IMD 0.9385
30 PZO 0.9382
31 HUH 0.9374
32 TRI 0.9371
33 R3W 0.9365
34 GLY 0.9352
35 1BP 0.9268
36 N2O 0.9242
37 2A3 0.9240
38 TMO 0.9239
39 ATO 0.9236
40 BRP 0.9204
41 BRJ 0.9198
42 BXA 0.9183
43 TCV 0.9172
44 SO2 0.9143
45 03S 0.9124
46 AXO 0.9112
47 TBU 0.9103
48 CP2 0.9099
49 EDO 0.9098
50 HP4 0.9074
51 2HP 0.9061
52 FPO 0.9061
53 GOL 0.9053
54 ALF 0.9028
55 BF4 0.9028
56 PO4 0.8995
57 PXO 0.8972
58 GB 0.8968
59 MSM 0.8967
60 J3K 0.8936
61 CB0 0.8925
62 3TR 0.8896
63 2PA 0.8870
64 MR3 0.8868
65 4MZ 0.8865
66 OSM 0.8865
67 HOW 0.8864
68 2MZ 0.8863
69 1MZ 0.8854
70 2AI 0.8853
71 NOE 0.8851
72 FUS 0.8850
73 5MP 0.8840
74 5KX 0.8839
75 3MT 0.8820
76 ES3 0.8799
77 JZ6 0.8786
78 GXV 0.8786
79 BYZ 0.8782
80 3GR 0.8779
81 PYZ 0.8761
82 WO6 0.8759
83 ART 0.8739
84 AMT 0.8724
85 BBX 0.8709
86 3ZS 0.8692
87 1CB 0.8682
88 PEJ 0.8678
89 QPT 0.8668
90 BAQ 0.8656
91 PYR 0.8655
92 GBL 0.8649
93 OXM 0.8644
94 9XN 0.8627
95 OXL 0.8607
96 6SP 0.8594
97 3CL 0.8590
98 HGY 0.8563
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1PEA; Ligand: ACM; 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: 1pea.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1PEA; Ligand: ACM; 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: 1pea.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
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