Receptor
PDB id Resolution Class Description Source Keywords
3ZZQ 1.75 Å NON-ENZYME: TRANSCRIPT_TRANSLATE ENGINEERED 12-SUBUNIT BACILLUS SUBTILIS TRP RNA-BINDING ATTE PROTEIN (TRAP) BACILLUS SUBTILIS TRANSCRIPTION TRANSCRIPTION REGULATION PROTEIN ENGINEERING
Ref.: HOW TO CHANGE THE OLIGOMERIC STATE OF A CIRCULAR PR ASSEMBLY: SWITCH FROM 11-SUBUNIT TO 12-SUBUNIT TRAP SUGGESTS A GENERAL MECHANISM PLOS ONE V. 6 25296 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
TRP A:81;
A:91;
B:81;
B:91;
C:81;
C:91;
D:81;
D:91;
E:81;
E:91;
F:81;
F:91;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
204.225 C11 H12 N2 O2 c1ccc...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3ZZQ 1.75 Å NON-ENZYME: TRANSCRIPT_TRANSLATE ENGINEERED 12-SUBUNIT BACILLUS SUBTILIS TRP RNA-BINDING ATTE PROTEIN (TRAP) BACILLUS SUBTILIS TRANSCRIPTION TRANSCRIPTION REGULATION PROTEIN ENGINEERING
Ref.: HOW TO CHANGE THE OLIGOMERIC STATE OF A CIRCULAR PR ASSEMBLY: SWITCH FROM 11-SUBUNIT TO 12-SUBUNIT TRAP SUGGESTS A GENERAL MECHANISM PLOS ONE V. 6 25296 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 257 families.
1 3ZZQ - TRP C11 H12 N2 O2 c1ccc2c(c1....
70% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 222 families.
1 2ZD0 - TRP C11 H12 N2 O2 c1ccc2c(c1....
2 2ZCZ - TRP C11 H12 N2 O2 c1ccc2c(c1....
3 2EXT - TRP C11 H12 N2 O2 c1ccc2c(c1....
4 1QAW Kd = 7.5 uM TRP C11 H12 N2 O2 c1ccc2c(c1....
5 2EXS - TRP C11 H12 N2 O2 c1ccc2c(c1....
6 3ZZL - TRP C11 H12 N2 O2 c1ccc2c(c1....
7 3ZZS - TRP C11 H12 N2 O2 c1ccc2c(c1....
8 1WAP - TRP C11 H12 N2 O2 c1ccc2c(c1....
9 3ZZQ - TRP C11 H12 N2 O2 c1ccc2c(c1....
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 185 families.
1 2ZD0 - TRP C11 H12 N2 O2 c1ccc2c(c1....
2 2ZCZ - TRP C11 H12 N2 O2 c1ccc2c(c1....
3 2EXT - TRP C11 H12 N2 O2 c1ccc2c(c1....
4 1QAW Kd = 7.5 uM TRP C11 H12 N2 O2 c1ccc2c(c1....
5 2EXS - TRP C11 H12 N2 O2 c1ccc2c(c1....
6 3ZZL - TRP C11 H12 N2 O2 c1ccc2c(c1....
7 3ZZS - TRP C11 H12 N2 O2 c1ccc2c(c1....
8 1WAP - TRP C11 H12 N2 O2 c1ccc2c(c1....
9 3ZZQ - TRP C11 H12 N2 O2 c1ccc2c(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TRP; Similar ligands found: 31
No: Ligand ECFP6 Tc MDL keys Tc
1 TRP 1 1
2 DTR 1 1
3 LTN 0.765957 0.777778
4 3IL 0.666667 0.75
5 4Z9 0.666667 0.75
6 TR7 0.666667 0.833333
7 FT6 0.561404 0.888889
8 IAC 0.538462 0.787879
9 TSR 0.529412 0.722222
10 IOP 0.518519 0.764706
11 R59 0.515152 0.72093
12 R38 0.515152 0.72093
13 3IB 0.491228 0.742857
14 ITW 0.491228 0.694444
15 IAD 0.484375 0.738095
16 TRP GLY 0.484375 0.636364
17 TSS 0.471698 0.666667
18 CTE 0.467742 0.888889
19 DTE 0.467742 0.888889
20 IAV 0.461538 0.738095
21 IAG 0.459016 0.738095
22 LYS TRP 0.43662 0.644444
23 78U 0.42623 0.794118
24 TRP LEU PHE VAL GLN ARG ASP SER LYS GLU 0.424658 0.627907
25 0ZN 0.421687 0.673913
26 4OG 0.416667 0.8
27 ASP TRP ASN 0.415584 0.673913
28 GLU ASP ASN ASP TRP ASN 0.415584 0.673913
29 LSW 0.411765 0.680851
30 X95 0.411765 0.680851
31 LYS TRP LYS 0.402597 0.638298
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3ZZQ; Ligand: TRP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3zzq.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3ZZQ; Ligand: TRP; Similar sites found: 67
This union binding pocket(no: 2) in the query (biounit: 3zzq.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3S9K CIT 0.0009728 0.51096 None
2 2BZ1 TAU 0.0007476 0.5028 None
3 1QKQ MAN 0.0002029 0.47161 None
4 1SS4 GSH 0.008741 0.45294 None
5 1SS4 CIT 0.02147 0.45154 None
6 1BTN I3P 0.01122 0.4426 None
7 2Q3M MLA 0.004789 0.44075 None
8 1RYI GOA 0.01651 0.43891 None
9 1WGC SIA GAL BGC 0.007745 0.43872 None
10 2XI7 XI7 0.01252 0.43674 None
11 1ULE GLA GAL NAG 0.005802 0.42905 None
12 4EXO PYR 0.00685 0.42565 None
13 3U1T MLI 0.005019 0.42502 None
14 1PTR PRB 0.007413 0.41735 None
15 1GJW GLC 0.008222 0.41531 None
16 2EB5 OXL 0.007265 0.41163 None
17 2WGC SIA GAL BGC 0.04493 0.40647 None
18 3F81 STT 0.02524 0.40517 None
19 4JCA CIT 0.03851 0.40265 None
20 4K55 H6P 0.007271 0.42762 1.6129
21 3UBW 6SP 0.0006091 0.52895 3.07692
22 3VPD BUA 0.0009404 0.50871 4.61538
23 2YD6 FLC 0.00569 0.45509 4.61538
24 2R00 OEG 0.003058 0.43474 4.61538
25 3ZPG 5GP 0.007031 0.43256 4.61538
26 3VPD CIT 0.03308 0.40609 4.61538
27 1WRA PC 0.01561 0.40268 4.61538
28 9LDB OXM 0.01911 0.41847 6.15385
29 1T3D CYS 0.0002702 0.48231 7.69231
30 3UDG TMP 0.001451 0.4662 7.69231
31 3IHB TRS 0.008759 0.46587 7.69231
32 4F8L GAL 0.005362 0.45667 7.69231
33 4A6F SEP 0.009533 0.43407 7.69231
34 4B9E FAH 0.004501 0.42715 7.69231
35 4M5P MLA 0.03791 0.40301 7.69231
36 1B74 DGN 0.003219 0.44109 9.23077
37 3O03 GCO 0.01093 0.42313 9.23077
38 3R51 MMA 0.01543 0.41575 9.23077
39 3BRE C2E 0.0009084 0.45091 10.7692
40 1T0S BML 0.002422 0.4469 10.7692
41 1HFA PIO 0.01012 0.40867 10.7692
42 1KC7 PPR 0.01387 0.40502 10.7692
43 4RJK PYR 0.003192 0.46882 12.3077
44 4Q3F TLA 0.001322 0.44383 12.3077
45 2V5E SCR 0.04071 0.40139 12.3077
46 2ZWS PLM 0.004316 0.46175 13.8462
47 1SOW OXL 0.009795 0.42548 13.8462
48 2BO4 FLC 0.00862 0.41438 15.3846
49 3QDY A2G GAL 0.001146 0.46218 18.4615
50 2OWZ CIT 0.001631 0.43986 18.4615
51 3QDW A2G 0.005234 0.43886 18.4615
52 3QDT A2G GAL 0.006249 0.42753 18.4615
53 3QDV A2G 0.009388 0.42638 18.4615
54 4B16 NAG 0.01956 0.41795 18.4615
55 3QDW NDG 0.02286 0.40569 18.4615
56 3QDY CBS 0.0226 0.40517 18.4615
57 3QDV NDG 0.02307 0.40357 18.4615
58 1Z42 HBA 0.04294 0.41055 20
59 1SC3 MLI 0.01886 0.40488 20
60 3SQG COM 0.03579 0.40431 20
61 3CBG FER 0.01822 0.41217 21.5385
62 3CBG 4FE 0.04096 0.40125 21.5385
63 2CW6 3HG 0.02026 0.4099 24.6154
64 1QH9 LAC 0.003756 0.4241 26.1538
65 4W6Z ETF 0.004168 0.44372 30.7692
66 1A59 CIT 0.009808 0.41184 30.7692
67 1H16 PYR 0.01531 0.40917 40
Pocket No.: 3; Query (leader) PDB : 3ZZQ; Ligand: TRP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3zzq.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3ZZQ; Ligand: TRP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3zzq.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3ZZQ; Ligand: TRP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 3zzq.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 3ZZQ; Ligand: TRP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 3zzq.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 3ZZQ; Ligand: TRP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 3zzq.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 3ZZQ; Ligand: TRP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 3zzq.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 3ZZQ; Ligand: TRP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 3zzq.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 3ZZQ; Ligand: TRP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 3zzq.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 3ZZQ; Ligand: TRP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 3zzq.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 3ZZQ; Ligand: TRP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 3zzq.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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