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Receptor
PDB id Resolution Class Description Source Keywords
1QAW 2.5 Å NON-ENZYME: TRANSCRIPT_TRANSLATE REGULATORY FEATURES OF THE TRP OPERON AND THE CRYSTAL STRUCT TRP RNA-BINDING ATTENUATION PROTEIN FROM BACILLUS STEAROTHE GEOBACILLUS STEAROTHERMOPHILUS CIRCULAR ASSEMBLY 11-FOLD SYMMETRY RNA-BINDING PROTEIN
Ref.: REGULATORY FEATURES OF THE TRP OPERON AND THE CRYST STRUCTURE OF THE TRP RNA-BINDING ATTENUATION PROTEI BACILLUS STEAROTHERMOPHILUS. J.MOL.BIOL. V. 289 1003 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
TRP A:81;
B:81;
C:81;
D:81;
E:81;
G:81;
G:82;
H:81;
I:81;
J:81;
K:81;
 Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
 Kd = 7.5 uM
204.225 C11 H12 N2 O2 c1ccc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1QAW 2.5 Å NON-ENZYME: TRANSCRIPT_TRANSLATE REGULATORY FEATURES OF THE TRP OPERON AND THE CRYSTAL STRUCT TRP RNA-BINDING ATTENUATION PROTEIN FROM BACILLUS STEAROTHE GEOBACILLUS STEAROTHERMOPHILUS CIRCULAR ASSEMBLY 11-FOLD SYMMETRY RNA-BINDING PROTEIN
Ref.: REGULATORY FEATURES OF THE TRP OPERON AND THE CRYST STRUCTURE OF THE TRP RNA-BINDING ATTENUATION PROTEI BACILLUS STEAROTHERMOPHILUS. J.MOL.BIOL. V. 289 1003 1999
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 291 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....
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 : 1QAW; Ligand: TRP; Similar sites found with APoc: 66
This union binding pocket(no: 1) in the query (biounit: 1qaw.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 2E1A MSE None
2 1QKQ MAN None
3 5EHS 2JJ None
4 5EHS 5OY None
5 5YJS SAL None
6 2WE0 UMP None
7 2ZRU FMN None
8 4BI7 PGA None
9 1WUB OTP None
10 1X8X TYR None
11 3TAY MN0 None
12 5A89 FMN None
13 5A89 ADP None
14 2Q4W FAD 4.05405
15 5HWV MBN 4.05405
16 5L2R MLA 5.40541
17 3AB1 FAD 5.40541
18 3ITJ CIT 6.75676
19 5WXU FLC 6.75676
20 4I54 1C1 6.75676
21 1QY1 PRZ 8.10811
22 6AC9 ANP 8.10811
23 4B2Z P5S 8.10811
24 1EWF PC1 8.10811
25 4CNE SAH 8.10811
26 1FFU CDP 8.10811
27 5UIU 8CG 8.10811
28 5D9G GLU ASN LEU TYR PHE GLN 8.10811
29 6FL8 ADP 8.10811
30 6FL8 TIY 8.10811
31 1SBR VIB 8.10811
32 4XPQ FUL 9.45946
33 1M5B BN1 9.45946
34 6AMI TRP 9.45946
35 5U98 1KX 9.45946
36 3O0Q ADN 9.45946
37 3O0Q GDP 9.45946
38 2GKS ADP 9.45946
39 2RCU BUJ 10.8108
40 1DZK PRZ 10.8108
41 3JYN NDP 10.8108
42 1RM6 PCD 10.8108
43 1V0O INR 10.8108
44 4BVA T3 12.1622
45 4MKF AP5 12.1622
46 4NU0 AP5 12.1622
47 1JIL 485 12.1622
48 2IU8 PLM 13.5135
49 5X9D 80F 13.5135
50 6GWR FEW 14.8649
51 4DPL NAP 14.8649
52 5KJW 53C 14.8649
53 4I53 1C1 14.8649
54 4K55 H6P 16.2162
55 2GQT FAD 16.2162
56 6GAS FAD 16.2162
57 1D6H COA 16.2162
58 1BZL GCG 18.9189
59 5MY8 RXZ 18.9189
60 1T3Q MCN 20.2703
61 1VR0 3SL 22.973
62 3H0L ADP 22.973
63 5Z2L NDP 22.973
64 1XV5 UDP 22.973
65 3WGT FAD 22.973
66 1RM0 NAI 39.1892
Pocket No.: 2; Query (leader) PDB : 1QAW; Ligand: TRP; Similar sites found with APoc: 31
This union binding pocket(no: 2) in the query (biounit: 1qaw.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 2VN9 GVD None
2 4YMZ 13P None
3 4X8O AP5 None
4 2VVL FAD None
5 4ER2 IVA VAL VAL STA ALA STA None
6 1VBO MAN MAN MAN None
7 3RWP ABQ 2.7027
8 5VIT MLI 4.05405
9 3BJE URA 4.05405
10 3FB4 AP5 5.40541
11 1U1I NAD 5.40541
12 5A7V BMA 5.40541
13 5A7V MAN 5.40541
14 6FYJ MYR 8.10811
15 4QYS PLP SEP 8.10811
16 4D9C PMP 8.10811
17 3QWB NDP 9.45946
18 3CTY FAD 10.8108
19 5G41 AP5 12.1622
20 4MKG AP5 12.1622
21 1WA5 GTP 14.8649
22 5O2N FLC 16.2162
23 1ZTH ADP 16.2162
24 3LZW FAD 17.5676
25 2IO8 ADP 22.973
26 2UUU PL3 33.7838
27 2UUU FAD 33.7838
28 1RM0 D6P 39.1892
29 5UAV NDP 39.1892
30 5UAV TFB 39.1892
31 5AXH GLC GLC GLC GLC 40.5405
Pocket No.: 3; Query (leader) PDB : 1QAW; Ligand: TRP; Similar sites found with APoc: 18
This union binding pocket(no: 3) in the query (biounit: 1qaw.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 3UBW 6SP None
2 5F90 LMR None
3 4TS1 TYR None
4 5F6U 5VK None
5 2H29 DND None
6 5KQG 6VX 4.05405
7 1JG3 ADN 5.40541
8 5XVG 8FX 5.40541
9 3T4L ZEA 6.75676
10 6B3V ANP 8.10811
11 4RF2 NAP 9.45946
12 1E1O LYS 10.8108
13 4E93 GUI 10.8108
14 4YJK URA 14.8649
15 5VAD 91Y 16.2162
16 5C5H 4YB 18.9189
17 4BHN BH9 20.2703
18 4ZOH MCN 47.2973
Pocket No.: 4; Query (leader) PDB : 1QAW; Ligand: TRP; Similar sites found with APoc: 26
This union binding pocket(no: 4) in the query (biounit: 1qaw.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 2XMY CDK None
2 4MDB RLT None
3 5A96 GTP 4.05405
4 1UNH IXM 4.05405
5 4P8K 38C 4.05405
6 4P8K FAD 4.05405
7 4AU8 Z3R 4.05405
8 4UP3 FAD 4.05405
9 2GJ5 VD3 4.05405
10 2YAK OSV 5.40541
11 6FP4 E1T 6.75676
12 1JXN MFU 6.75676
13 4A59 AMP 8.10811
14 2F9W PAU 8.10811
15 3KDM TES 8.10811
16 4J56 FAD 8.10811
17 5U5G 7VD 9.45946
18 4XFR CIT 10.8108
19 3FIU AMP 10.8108
20 5X8G S0N 12.1622
21 5V8E CIT 13.5135
22 1XF1 CIT 14.8649
23 1FL2 FAD 14.8649
24 1ZVW PRP 18.9189
25 5KXE 6Y2 18.9189
26 3IAE D7K 20.2703
Pocket No.: 5; Query (leader) PDB : 1QAW; Ligand: TRP; Similar sites found with APoc: 6
This union binding pocket(no: 5) in the query (biounit: 1qaw.bio1) has 36 residues
No: Leader PDB Ligand Sequence Similarity
1 3FXU TSU None
2 6CAM BGC None
3 1MFI FHC None
4 3FJG 3PG 8.10811
5 2DVZ GLU 9.45946
6 2G30 ALA ALA PHE 37.5
Pocket No.: 6; Query (leader) PDB : 1QAW; Ligand: TRP; Similar sites found with APoc: 6
This union binding pocket(no: 6) in the query (biounit: 1qaw.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 2QTR NXX None
2 1T3D CYS 6.75676
3 1V3S ATP 8.10811
4 3O0Q TTP 9.45946
5 2Z49 AMG 10.8108
6 3IES M24 16.2162
Pocket No.: 7; Query (leader) PDB : 1QAW; Ligand: TRP; Similar sites found with APoc: 21
This union binding pocket(no: 7) in the query (biounit: 1qaw.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 5EYW PGA None
2 6BVE PGA None
3 3HGM ATP None
4 3ZJX BOG None
5 2BTM PGA 2.7027
6 3PP0 03Q 4.05405
7 2PHX MAN MAN MAN MAN 4.05405
8 2GZ3 NAP 4.05405
9 5UR1 YY9 5.40541
10 1H74 ADP 6.75676
11 1H74 ILE 6.75676
12 3THR C2F 8.10811
13 4DDY DN6 8.10811
14 1TZD ADP 10.8108
15 5A1S FLC 12.1622
16 3DOO SKM 12.1622
17 2HK5 1BM 12.1622
18 4BR5 ANP 13.5135
19 5ECP ATP 14.8649
20 1S3G AP5 21.6216
21 1F0X FAD 21.6216
Pocket No.: 8; Query (leader) PDB : 1QAW; Ligand: TRP; Similar sites found with APoc: 16
This union binding pocket(no: 8) in the query (biounit: 1qaw.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 5N26 CPT None
2 5NNS AKR None
3 5URY PAM None
4 1RJW ETF 5.40541
5 4D7E FAD 5.40541
6 5ODT ADP 6.75676
7 4D57 ARG AMP 8.10811
8 5EYY MDM 9.45946
9 5DKK FMN 9.45946
10 4UP4 NDG 10.8108
11 4UP4 NAG 10.8108
12 4WHZ 3NL 12.1622
13 2Z6C FMN 12.1622
14 5ZYN FAD 14.8649
15 5ZYN FMN 14.8649
16 4WB6 ATP 32.4324
Pocket No.: 9; Query (leader) PDB : 1QAW; Ligand: TRP; Similar sites found with APoc: 2
This union binding pocket(no: 9) in the query (biounit: 1qaw.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 2WEL K88 6.75676
2 4Y8D 49J 14.8649
Pocket No.: 10; Query (leader) PDB : 1QAW; Ligand: TRP; Similar sites found with APoc: 7
This union binding pocket(no: 10) in the query (biounit: 1qaw.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 3QDV NDG None
2 3ZO7 K6H None
3 3QDW NDG None
4 2XKO AKG None
5 3QDY CBS None
6 5Y86 HRM 8.10811
7 4ISS TAR 14.8649
Pocket No.: 11; Query (leader) PDB : 1QAW; Ligand: TRP; Similar sites found with APoc: 13
This union binding pocket(no: 11) in the query (biounit: 1qaw.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 3C3N FMN None
2 1M5W DXP 2.7027
3 4LY9 S6P 4.05405
4 4LY9 1YY 4.05405
5 3FHR P4O 4.05405
6 4C2V YJA 6.75676
7 3IGO ANP 8.10811
8 4M52 M52 13.5135
9 1LVL FAD 16.2162
10 2WPF WPF 18.9189
11 2WPF FAD 18.9189
12 4AG8 AXI 18.9189
13 4W6Z 8ID 27.027
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