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Receptor
PDB id Resolution Class Description Source Keywords
3ZZL 1.67 Å NON-ENZYME: TRANSCRIPT_TRANSLATE BACILLUS HALODURANS TRP RNA-BINDING ATTENUATION PROTEIN (TRAP): A 12-SUBUNIT ASSEMBLY BACILLUS HALODURANS 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:100;
A:81;
B:100;
B:81;
C:100;
C:81;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
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
3ZZL 1.67 Å NON-ENZYME: TRANSCRIPT_TRANSLATE BACILLUS HALODURANS TRP RNA-BINDING ATTENUATION PROTEIN (TRAP): A 12-SUBUNIT ASSEMBLY BACILLUS HALODURANS 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 291 families.
1 3ZZL - 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 247 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 209 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: 29
No: Ligand ECFP6 Tc MDL keys Tc
1 DTR 1 1
2 TRP 1 1
3 LTN 0.765957 0.777778
4 TR7 0.666667 0.833333
5 3IL 0.666667 0.75
6 4Z9 0.666667 0.75
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 0.476923 0.704545
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 0.432432 0.673913
23 78U 0.42623 0.794118
24 0ZN 0.421687 0.673913
25 4OG 0.416667 0.8
26 X95 0.411765 0.680851
27 LSW 0.411765 0.680851
28 ASP TRP ASN 0.405063 0.673913
29 GLU ASP ASN ASP TRP ASN 0.405063 0.673913
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3ZZL; Ligand: TRP; Similar sites found with APoc: 26
This union binding pocket(no: 1) in the query (biounit: 3zzl.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 1RLJ FMN None
2 3CM2 X23 None
3 6F6J SIN None
4 6F6J CUW None
5 1UPF URF None
6 1JG3 ADN None
7 1NBU PH2 None
8 6B74 BEN None
9 5N6C NAD None
10 4GXQ ATP None
11 2B3D FAD 4.28571
12 4MCC 21X 7.14286
13 5XNC MTA 7.14286
14 1SQL GUN 7.14286
15 3UR0 SVR 8.57143
16 4C8E C5P 10
17 4K38 SAM 12.8571
18 1SL3 170 12.8571
19 1DEK DGP 12.8571
20 4K39 SAM 12.8571
21 3DHV DAL AMP 14.2857
22 5D6J ATP 15.7143
23 4BTI 7R9 15.7143
24 1P9P SAH 17.1429
25 3NK7 SAM 21.4286
26 4ZCC FAD 27.1429
Pocket No.: 2; Query (leader) PDB : 3ZZL; Ligand: TRP; 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: 3zzl.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3ZZL; Ligand: TRP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3zzl.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3ZZL; Ligand: TRP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3zzl.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3ZZL; Ligand: TRP; Similar sites found with APoc: 15
This union binding pocket(no: 5) in the query (biounit: 3zzl.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 3HDY FDA None
2 2GJ8 ALF GDP None
3 3HDY GDU None
4 3HDY FAD None
5 1KYQ NAD None
6 5C83 4YN None
7 3JSX FAD None
8 5OQW A4E 5.51181
9 3O7B SAH 5.71429
10 3NRR NAP 5.71429
11 3NRR D16 5.71429
12 5YAP NAI 7.14286
13 5YAP 8S0 7.14286
14 1QX4 FAD 8.57143
15 3ABI NAD 11.4286
Pocket No.: 6; Query (leader) PDB : 3ZZL; Ligand: TRP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 3zzl.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 3ZZL; Ligand: TRP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 3zzl.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 3ZZL; Ligand: TRP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 3zzl.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 3ZZL; Ligand: TRP; Similar sites found with APoc: 6
This union binding pocket(no: 9) in the query (biounit: 3zzl.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 2YMZ LAT None
2 5YJS SAL None
3 3PA8 621 4.28571
4 3ITJ CIT 8.57143
5 2QL9 CIT 10
6 6A63 LAT 12.8571
Pocket No.: 10; Query (leader) PDB : 3ZZL; Ligand: TRP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 3zzl.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 3ZZL; Ligand: TRP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 3zzl.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 3ZZL; Ligand: TRP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 3zzl.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 13; Query (leader) PDB : 3ZZL; Ligand: TRP; Similar sites found with APoc: 3
This union binding pocket(no: 13) in the query (biounit: 3zzl.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 4X7R 3YW 14.2857
2 4X7R UDP 14.2857
3 4X7R NTO 14.2857
Pocket No.: 14; Query (leader) PDB : 3ZZL; Ligand: TRP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 14) in the query (biounit: 3zzl.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 15; Query (leader) PDB : 3ZZL; Ligand: TRP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 15) in the query (biounit: 3zzl.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 16; Query (leader) PDB : 3ZZL; Ligand: TRP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 16) in the query (biounit: 3zzl.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 17; Query (leader) PDB : 3ZZL; Ligand: TRP; Similar sites found with APoc: 40
This union binding pocket(no: 17) in the query (biounit: 3zzl.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 2E1A MSE None
2 6AC9 ANP None
3 4O48 ASP None
4 2WLG SOP None
5 4I53 1C1 None
6 2XKO AKG None
7 4TS1 TYR None
8 3VKC FPQ None
9 3AB4 THR None
10 4I54 1C1 None
11 2PHX MAN MAN MAN MAN None
12 1N13 AG2 None
13 1QKQ MAN None
14 5NC1 NAG 3.79747
15 3RWP ABQ 4.28571
16 3ZJX BOG 7.14286
17 5Z2L NDP 7.14286
18 4UCF GLA 7.14286
19 3O0Q GDP 10
20 3O0Q TTP 10
21 3O0Q ADN 10
22 2J9C ATP 10
23 5W6Y TRP 10
24 3FC4 EDO 11.4286
25 1ZTH ADP 11.4286
26 2V58 LZJ 11.4286
27 2RGX AP5 11.4286
28 2RCU BUJ 12.8571
29 6AM8 PLT 12.8571
30 1DZK PRZ 12.8571
31 5MRH Q9Z 14.2857
32 2Z49 AMG 15.7143
33 4K55 H6P 15.7143
34 2IVF MGD 15.7143
35 5G41 AP5 18.5714
36 5ECP ATP 20
37 5ECP MET 20
38 5ECP JAA 20
39 1M5B BN1 24.2857
40 4USI ATP 24.2857
Pocket No.: 18; Query (leader) PDB : 3ZZL; Ligand: TRP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 18) in the query (biounit: 3zzl.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 19; Query (leader) PDB : 3ZZL; Ligand: TRP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 19) in the query (biounit: 3zzl.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 20; Query (leader) PDB : 3ZZL; Ligand: TRP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 20) in the query (biounit: 3zzl.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 21; Query (leader) PDB : 3ZZL; Ligand: TRP; Similar sites found with APoc: 12
This union binding pocket(no: 21) in the query (biounit: 3zzl.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 4AU8 Z3R None
2 4BVA T3 None
3 5HGZ MLA None
4 1A78 TDG None
5 3SAO DBH None
6 5MY8 RXZ 2.85714
7 1APZ ASP 4.28571
8 1NE7 16G 7.14286
9 1BZL GCG 7.14286
10 3HSS MLA 10
11 3PP0 03Q 10
12 1V0O INR 11.4286
Pocket No.: 22; Query (leader) PDB : 3ZZL; Ligand: TRP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 22) in the query (biounit: 3zzl.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 23; Query (leader) PDB : 3ZZL; Ligand: TRP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 23) in the query (biounit: 3zzl.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 24; Query (leader) PDB : 3ZZL; Ligand: TRP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 24) in the query (biounit: 3zzl.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
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