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 257 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 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 : 3ZZL; 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: 3zzl.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3ZZL; Ligand: TRP; Similar sites found: 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 7 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3ZZL; Ligand: TRP; Similar sites found: 82
This union binding pocket(no: 3) in the query (biounit: 3zzl.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2V5E SCR 0.0004196 0.54137 None
2 1SS4 GSH 0.001136 0.53817 None
3 1QKQ MAN 0.0001693 0.50754 None
4 3S9K CIT 0.006887 0.48158 None
5 1BTN I3P 0.009276 0.47259 None
6 1RZM E4P 0.003925 0.46302 None
7 1UGX GAL MGC 0.00001459 0.46091 None
8 2ZO9 MLI 0.0008849 0.45951 None
9 2WGC SIA GAL BGC 0.02761 0.44733 None
10 2JFV FLC 0.007618 0.44258 None
11 4JWX 1N4 0.004488 0.44218 None
12 43CA NPO 0.04377 0.43852 None
13 1V5F FAD 0.0006829 0.43629 None
14 1V5F TPP 0.0006829 0.43629 None
15 3LTW HLZ 0.01407 0.42972 None
16 4F4S EFO 0.009883 0.42668 None
17 3NOJ PYR 0.01252 0.42442 None
18 3NGU ADP 0.004434 0.42369 None
19 2QLX RM4 0.02902 0.41955 None
20 2FR6 CTN 0.00285 0.41936 None
21 3C2O NTM 0.0006855 0.41835 None
22 2Y7P SAL 0.01747 0.41546 None
23 2PR5 FMN 0.004009 0.41384 None
24 4PNO U5P 0.007845 0.4137 None
25 3A1I UNU 0.01235 0.41351 None
26 2E1A MSE 0.0201 0.40843 None
27 2JBH 5GP 0.02311 0.40575 None
28 1RN8 DUP 0.002592 0.40556 None
29 1RZM PEP 0.02956 0.40505 None
30 4LTN NAI 0.0002471 0.40409 None
31 2Q37 3AL 0.04346 0.40146 None
32 1XX4 BAM 0.0005072 0.48824 2.85714
33 1FNZ A2G 0.000002024 0.51796 4.28571
34 1T0S BML 0.02235 0.43106 4.28571
35 1XE7 GUN 0.03771 0.42511 4.28571
36 1TV5 N8E 0.00311 0.41795 4.28571
37 1TV5 A26 0.001764 0.41614 4.28571
38 3PA8 621 0.01888 0.40497 4.28571
39 2WL9 MBD 0.002571 0.40414 4.28571
40 1MZV AMP 0.02113 0.40351 4.28571
41 2ZWS PLM 0.0457 0.43429 5.71429
42 4COQ SAN 0.01759 0.42501 5.71429
43 4OHB 5HM 0.01047 0.40501 5.71429
44 2Q09 DI6 0.02994 0.40077 5.71429
45 1TUV VK3 0.04697 0.41989 7.14286
46 3VGL BGC 0.0007436 0.40916 7.14286
47 5A2J ALA PRO ASP THR ARG PRO 0.006239 0.46349 8.57143
48 3ZPG 5GP 0.009048 0.45867 8.57143
49 1V8K ANP 0.0001258 0.42581 8.57143
50 2NCD ADP 0.0225 0.41496 8.57143
51 3KJQ B94 0.01001 0.41331 8.57143
52 1FX8 BOG 0.005404 0.41256 8.57143
53 2IZ1 ATR 0.04608 0.40462 8.57143
54 4KCT FDP 0.01412 0.40709 10
55 1Q11 TYE 0.03152 0.40377 10
56 4KCT PYR 0.02978 0.40088 10
57 4RJK PYR 0.003769 0.49818 11.4286
58 1O9U ADZ 0.009583 0.45733 11.4286
59 4M51 BEZ 0.007074 0.45699 11.4286
60 1EB9 HBA 0.01159 0.41066 11.4286
61 1J2Z SOG 0.0008889 0.44473 12.8571
62 3RF4 FUN 0.005482 0.43825 12.8571
63 4Q3S X7A 0.001298 0.41077 12.8571
64 1SQ5 ADP 0.01247 0.40933 12.8571
65 1V6A TRE 0.03626 0.40518 12.8571
66 4M5P 23W 0.00903 0.4515 14.2857
67 1ONX ASP 0.0005616 0.4192 14.2857
68 5T63 ALA ALA ALA ALA 0.001576 0.41783 14.2857
69 1GXU 2HP 0.002045 0.41392 14.2857
70 1H0C AOA 0.03762 0.41385 15.7143
71 2Z9V PXM 0.009519 0.42742 17.1429
72 1UF5 CDT 0.0202 0.40435 17.1429
73 1A5Z OXM 0.0000442 0.57071 20
74 2QV7 ADP 0.003395 0.42421 20
75 1A5Z FBP 0.006261 0.40329 20
76 1Z44 NPO 0.01672 0.4602 21.4286
77 1XIU REA 0.006153 0.4104 21.4286
78 2GN2 C5P 0.0001101 0.47712 27.1429
79 1MVQ MMA 0.0003428 0.41316 27.1429
80 1A8S PPI 0.001919 0.44542 28.5714
81 3F81 STT 0.03411 0.42749 28.5714
82 3SHR CMP 0.001632 0.45092 30
Pocket No.: 4; Query (leader) PDB : 3ZZL; 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: 3zzl.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3ZZL; 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: 3zzl.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 3ZZL; 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: 3zzl.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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