Receptor
PDB id Resolution Class Description Source Keywords
1JHG 1.3 Å NON-ENZYME: TRANSCRIPT_TRANSLATE TRP REPRESSOR MUTANT V58I ESCHERICHIA COLI REGULATORY PROTEIN-PEPTIDE COMPLEX DNA BINDING PROTEIN
Ref.: AN ATOMIC VIEW OF THE L-TRYPTOPHAN BINDING SITE OF REPRESSOR. NAT.STRUCT.BIOL. V. 3 986 1996
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PO4 A:120;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
TRP A:111;
Valid;
none;
submit data
204.225 C11 H12 N2 O2 c1ccc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1JHG 1.3 Å NON-ENZYME: TRANSCRIPT_TRANSLATE TRP REPRESSOR MUTANT V58I ESCHERICHIA COLI REGULATORY PROTEIN-PEPTIDE COMPLEX DNA BINDING PROTEIN
Ref.: AN ATOMIC VIEW OF THE L-TRYPTOPHAN BINDING SITE OF REPRESSOR. NAT.STRUCT.BIOL. V. 3 986 1996
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 257 families.
1 1WRP - TRP C11 H12 N2 O2 c1ccc2c(c1....
2 2OZ9 - TRP C11 H12 N2 O2 c1ccc2c(c1....
3 1JHG - TRP C11 H12 N2 O2 c1ccc2c(c1....
4 1ZT9 - TRP C11 H12 N2 O2 c1ccc2c(c1....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 222 families.
1 1WRP - TRP C11 H12 N2 O2 c1ccc2c(c1....
2 2OZ9 - TRP C11 H12 N2 O2 c1ccc2c(c1....
3 1JHG - TRP C11 H12 N2 O2 c1ccc2c(c1....
4 1ZT9 - TRP C11 H12 N2 O2 c1ccc2c(c1....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 185 families.
1 1WRP - TRP C11 H12 N2 O2 c1ccc2c(c1....
2 2OZ9 - TRP C11 H12 N2 O2 c1ccc2c(c1....
3 1JHG - TRP C11 H12 N2 O2 c1ccc2c(c1....
4 1ZT9 - 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 : 1JHG; Ligand: TRP; Similar sites found: 66
This union binding pocket(no: 1) in the query (biounit: 1jhg.bio1) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4B16 NAG 0.001225 0.46538 None
2 1HFA PIO 0.0008623 0.46025 None
3 1YOA FMN 0.002653 0.45932 None
4 1JAC AMG 0.003336 0.44387 None
5 3BHO B4P 0.004518 0.43735 None
6 1IG3 VIB 0.005977 0.42809 None
7 2BZ1 TAU 0.01101 0.4271 None
8 2F01 BTN 0.03217 0.42412 None
9 1SBZ FMN 0.01057 0.42281 None
10 1SC3 MLI 0.0042 0.42219 None
11 1B74 DGN 0.005504 0.41689 None
12 1UWZ THU 0.005271 0.41406 None
13 4RW3 TDA 0.01983 0.41185 None
14 1H8G CHT 0.02429 0.40907 None
15 3PJU C2E 0.01559 0.40886 None
16 2XBP ATP 0.04522 0.40596 None
17 1Y1A GSH 0.03305 0.40203 None
18 2EB5 OXL 0.006178 0.40154 None
19 2Q3M MLA 0.006154 0.42225 1.22699
20 3FS8 ACO 0.005572 0.46721 1.9802
21 3FS8 TDR 0.02378 0.43401 1.9802
22 1GAD NAD 0.01852 0.40551 1.9802
23 3UDG TMP 0.003637 0.43304 2.9703
24 3S2Y FMN 0.01058 0.40124 2.9703
25 3H86 AP5 0.008151 0.44159 3.125
26 3QQA TCH 0.006405 0.41989 3.9604
27 4R33 SAH 0.01411 0.41824 4.9505
28 4R33 TRP 0.01411 0.41824 4.9505
29 1SS4 GSH 0.000815 0.4968 5.94059
30 1TDF NAP 0.01388 0.44517 5.94059
31 3IHB TRS 0.005054 0.4106 5.94059
32 2HGZ PBF 0.01691 0.40447 5.94059
33 3U5S FAD 0.01345 0.40416 5.94059
34 3S9K CIT 0.0002439 0.53153 6.93069
35 1H16 DTL 0.0005707 0.47098 6.93069
36 3BS8 PMP 0.005239 0.40963 6.93069
37 4JCA CIT 0.02002 0.40524 6.93069
38 4OYA 1VE 0.02619 0.44168 7.92079
39 2YD6 FLC 0.002692 0.475 8.91089
40 1RYI GOA 0.01055 0.43657 8.91089
41 3TKA CTN 0.01492 0.42607 8.91089
42 3GB5 FMN 0.005381 0.41965 8.91089
43 4KCF AKM 0.007454 0.41865 8.91089
44 3VPQ GSH 0.002915 0.40888 8.91089
45 2XI7 XI7 0.02696 0.40669 8.91089
46 1BTN I3P 0.001827 0.47781 9.90099
47 2DKH FAD 0.006709 0.43302 9.90099
48 3UYK 0CX 0.0314 0.41725 9.90099
49 4IOK ADP 0.01169 0.41444 9.90099
50 4WGF HX2 0.0352 0.411 9.90099
51 1JA9 NDP 0.02588 0.43053 12.8713
52 1QS0 TDP 0.00698 0.41477 12.8713
53 2YVF NAD 0.04325 0.41595 13.8614
54 2YVF FAD 0.04208 0.41595 13.8614
55 4NES UDP 0.003053 0.42625 14.8515
56 4RJK PYR 0.01737 0.41672 14.8515
57 3WJP ANP 0.0009511 0.44999 16.8317
58 2ZWS PLM 0.005324 0.44356 16.8317
59 2V5E SCR 0.008998 0.42252 16.8317
60 1KBJ FMN 0.01268 0.41147 16.8317
61 4IS0 1R4 0.008803 0.41386 17.8218
62 1FIQ SAL 0.008141 0.42799 18.8119
63 4BAS GNP 0.01273 0.4052 21.7822
64 2VWA PTY 0.00952 0.40849 23.7624
65 2XK9 XK9 0.03669 0.40015 23.7624
66 3IWK NAD 0.02454 0.40386 28.7129
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