Receptor
PDB id Resolution Class Description Source Keywords
3BWN 2.25 Å EC: 2.-.-.- L-TRYPTOPHAN AMINOTRANSFERASE ARABIDOPSIS THALIANA AMINOTRANSFERASE AUXIN SYNTHESIS TRYPTOPHAN PYRIDOXAL-5-prime -PHOSPHATE INDOLE-3-PYRUVATE TRANSFERASE
Ref.: RAPID SYNTHESIS OF AUXIN VIA A NEW TRYPTOPHAN-DEPENDENT PATHWAY IS REQUIRED FOR SHADE AVOIDANCE IN PLANTS CELL(CAMBRIDGE,MASS.) V. 133 164 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PMP A:1001;
B:1001;
D:1001;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
248.173 C8 H13 N2 O5 P Cc1c(...
PMP PHE F:1001;
Valid;
none;
submit data n/a n/a n/a n/a
PO4 E:1001;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3BWN 2.25 Å EC: 2.-.-.- L-TRYPTOPHAN AMINOTRANSFERASE ARABIDOPSIS THALIANA AMINOTRANSFERASE AUXIN SYNTHESIS TRYPTOPHAN PYRIDOXAL-5-prime -PHOSPHATE INDOLE-3-PYRUVATE TRANSFERASE
Ref.: RAPID SYNTHESIS OF AUXIN VIA A NEW TRYPTOPHAN-DEPENDENT PATHWAY IS REQUIRED FOR SHADE AVOIDANCE IN PLANTS CELL(CAMBRIDGE,MASS.) V. 133 164 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 236 families.
1 3BWN - PMP PHE n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 211 families.
1 3BWN - PMP PHE n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 166 families.
1 3BWN - PMP PHE n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PMP; Similar ligands found: 78
No: Ligand ECFP6 Tc MDL keys Tc
1 PMP 1 1
2 PXP 0.7 0.888889
3 GT1 0.673077 0.793103
4 PLG 0.57377 0.866667
5 IN5 0.57377 0.912281
6 P1T 0.571429 0.825397
7 PLR 0.557692 0.781818
8 2BO 0.553846 0.881356
9 TLP 0.553846 0.881356
10 2BK 0.553846 0.881356
11 PP3 0.546875 0.881356
12 PDA 0.546875 0.881356
13 PDD 0.546875 0.881356
14 ILP 0.544118 0.852459
15 33P 0.538462 0.896552
16 IK2 0.538462 0.825397
17 5PA 0.530303 0.825397
18 PLS 0.530303 0.866667
19 PMH 0.530303 0.742857
20 PLP 0.527273 0.767857
21 C6P 0.522388 0.866667
22 PPD 0.522388 0.866667
23 ORX 0.521127 0.854839
24 PXM 0.52 0.735849
25 PZP 0.517857 0.836364
26 PLA 0.514706 0.8125
27 PY5 0.514706 0.8125
28 PL2 0.514286 0.84127
29 QLP 0.514286 0.815385
30 PE1 0.513889 0.854839
31 PPG 0.513514 0.825397
32 P0P 0.508772 0.8
33 HEY 0.507042 0.8125
34 CBA 0.5 0.83871
35 PGU 0.5 0.83871
36 7TS 0.5 0.702703
37 EA5 0.5 0.828125
38 3LM 0.5 0.787879
39 PDG 0.5 0.83871
40 7XF 0.5 0.83871
41 9YM 0.493151 0.868852
42 LCS 0.492958 0.675676
43 PMG 0.492958 0.787879
44 DCS 0.492958 0.712329
45 76U 0.486111 0.825397
46 PY6 0.486111 0.787879
47 PL4 0.48 0.854839
48 PSZ 0.479452 0.8
49 N5F 0.479452 0.825397
50 4LM 0.462687 0.725806
51 0JO 0.462687 0.714286
52 AN7 0.461538 0.741379
53 PXG 0.460526 0.866667
54 RW2 0.460526 0.8
55 FOO 0.454545 0.75
56 PL8 0.454545 0.732394
57 GLY PLP 0.454545 0.779661
58 NPL 0.45 0.898305
59 KAM 0.448718 0.825397
60 1D0 0.444444 0.8
61 7B9 0.443038 0.764706
62 2B1 0.443038 0.690141
63 P3D 0.442857 0.85
64 PLP SER 0.441176 0.779661
65 EPC 0.439394 0.789474
66 MP5 0.438596 0.728814
67 EXT 0.432836 0.79661
68 PLP PMP 0.432836 0.770492
69 AQ3 0.426829 0.8125
70 2B6 0.426829 0.662162
71 PLP ALO 0.422535 0.833333
72 MPM 0.414286 0.75
73 KOU 0.408451 0.8
74 SER PLP 0.402778 0.813559
75 HCP 0.402778 0.741935
76 PLP 2TL 0.402778 0.79661
77 Z98 0.4 0.777778
78 PFM 0.4 0.770492
Ligand no: 2; Ligand: PMP PHE; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3BWN; Ligand: PMP PHE; Similar sites found: 66
This union binding pocket(no: 1) in the query (biounit: 3bwn.bio3) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1TOI HCI 0.0001115 0.52073 1.53453
2 1LW4 TLP 0.0008396 0.42801 2.01729
3 1LW4 PLP 0.001582 0.40898 2.01729
4 5X30 7XF 0.0002182 0.45136 2.04604
5 5X2Z 3LM 0.0007341 0.44558 2.04604
6 5X30 4LM 0.001321 0.41655 2.04604
7 1GDE GLU PLP 0.000000007327 0.66363 2.05656
8 1E5F PLP 0.0002993 0.47305 2.30179
9 2Z9V PXM 0.01181 0.42074 2.30179
10 5IWQ PLP 0.0000007941 0.6063 2.55754
11 2TPL HPP 0.0007772 0.41546 2.55754
12 3PD6 PMP 0.0000005963 0.62127 2.8133
13 3PDB PMP 0.0000008522 0.60484 2.8133
14 3PD6 KYN 0.00007439 0.5371 2.8133
15 3PDB OAA 0.007978 0.42296 2.8133
16 2FYF PLP 0.01338 0.41346 2.8133
17 1U08 PLP 0.0000002727 0.5215 3.10881
18 3WGC PLG 0.001505 0.41034 3.22581
19 4AZJ SEP PLP 0.005391 0.40211 3.33333
20 2CST MAE 0.00307 0.45084 3.58056
21 1FC4 AKB PLP 0.001378 0.43452 3.58056
22 5W71 9YM 0.007177 0.42006 3.58056
23 5W71 PLP 0.001104 0.41787 3.58056
24 1P0Z FLC 0.02893 0.40059 3.81679
25 3ZRR PXG 0.002041 0.42333 4.16667
26 1AJS PLA 0.0000004152 0.57898 4.34783
27 4K2M O1G 0.003602 0.4046 4.85933
28 5K8B PDG 0.005143 0.40471 5.11509
29 1DJ9 KAM 0.001181 0.44599 5.20833
30 3B1E P1T 0.000001045 0.59235 6.13811
31 2WK9 PLG 0.0005812 0.4592 6.16967
32 2WK9 PLP 0.0007491 0.45152 6.16967
33 2XBN PMP 0.001877 0.4282 6.90537
34 5W70 9YM 0.0007749 0.43312 7.16113
35 2ZYJ PGU 0.000000005192 0.66774 7.41688
36 4I4S LAT 0.02133 0.40824 7.53425
37 1PMO PLR 0.0009979 0.40778 7.67263
38 2ZC0 PMP 0.0000003534 0.59801 7.92839
39 1OXO IK2 0.000007394 0.40589 8.4399
40 2AY3 MPP 0.00055 0.46604 8.69565
41 5DJ3 5DK 0.000009163 0.50564 9.04255
42 4RKC PMP 0.000002041 0.51305 9.46292
43 4FL0 PLP 0.00000003246 0.67229 10.2302
44 1UU1 PMP HSA 0.00000002238 0.62647 11.0448
45 1YAA MAE 0.002366 0.4576 11.2532
46 1DFO PLG 0.003818 0.40462 11.7647
47 4IY7 0JO 0.0004202 0.45254 12.7877
48 4IY7 KOU 0.0004328 0.452 12.7877
49 4IYO 0JO 0.0004685 0.45053 12.7877
50 2R5E QLP 0.00000002261 0.63414 13.2992
51 2R5C C6P 0.00000001955 0.62017 13.2992
52 1GEX PLP HSA 0.0000004827 0.53021 13.764
53 3FVU IAC 0.0000261 0.41301 14.0665
54 1GCK ASP PLP 0.00000001993 0.63647 15.8442
55 3CQ5 PMP 0.0000000006483 0.79319 16.8022
56 2R2N PMP 0.00000001723 0.68536 16.8798
57 2R2N KYN 0.00000009412 0.52191 16.8798
58 4R5Z PMP 0.0000001527 0.58064 16.8937
59 4R5Z SIN 0.005544 0.41941 16.8937
60 1LC8 33P 0.0000005259 0.521 17.3077
61 1M7Y PPG 0.0000002846 0.59995 17.9028
62 3E2Y PMP 0.0000007306 0.51477 17.9028
63 4JE5 PMP 0.0000003617 0.63184 18.9258
64 4JE5 PLP 0.0000004532 0.62707 18.9258
65 3EI9 PL6 0.000000002477 0.63923 19.6759
66 1V2F HCI 0.000009624 0.57058 23.622
Pocket No.: 2; Query (leader) PDB : 3BWN; Ligand: PMP; Similar sites found: 72
This union binding pocket(no: 2) in the query (biounit: 3bwn.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1YIQ PQQ 0.0152 0.40264 1.27877
2 1TOI HCI 0.0003714 0.5249 1.53453
3 1CL2 PPG 0.000452 0.42491 1.53453
4 1B9I PXG 0.00148 0.45452 1.54639
5 1LW4 TLP 0.002303 0.43782 2.01729
6 1LW4 PLP 0.001862 0.43782 2.01729
7 5X30 7XF 0.00002142 0.53333 2.04604
8 5X2Z 3LM 0.00009047 0.51673 2.04604
9 5X30 4LM 0.0001353 0.49326 2.04604
10 1GDE GLU PLP 0.000000006098 0.61414 2.05656
11 1E5F PLP 0.00003072 0.49528 2.30179
12 2Z9V PXM 0.01013 0.41234 2.30179
13 4E1O PLP PVH 0.01654 0.4025 2.30179
14 5IWQ PLP 0.0000004024 0.60083 2.55754
15 3VP6 HLD 0.006836 0.42414 2.55754
16 1KOJ PAN 0.007421 0.41574 2.55754
17 3PD6 PMP 0.0000002752 0.61783 2.8133
18 3PDB PMP 0.0000004165 0.60014 2.8133
19 3PD6 KYN 0.0003816 0.48699 2.8133
20 2FYF PLP 0.004847 0.42317 2.8133
21 1MAI I3P 0.02223 0.40015 3.05344
22 1U08 PLP 0.0000000449 0.63187 3.10881
23 3WGC PLG 0.001244 0.44596 3.22581
24 5W71 9YM 0.001223 0.4805 3.58056
25 5W71 PLP 0.0002877 0.47795 3.58056
26 1FC4 AKB PLP 0.00013 0.44883 3.58056
27 1P0Z FLC 0.01055 0.41345 3.81679
28 2O2C G6Q 0.0047 0.40225 3.83632
29 4IF4 BEF 0.004807 0.42751 3.84615
30 3ZRR PXG 0.0006783 0.42002 4.16667
31 1AJS PLA 0.0000003928 0.62621 4.34783
32 4K2M O1G 0.0003786 0.41801 4.85933
33 5K8B PDG 0.0007396 0.46713 5.11509
34 1DJ9 KAM 0.0004745 0.44418 5.20833
35 1ELU PDA 0.008739 0.41053 5.64103
36 3B1E P1T 0.00001649 0.51597 6.13811
37 1WYV PLP AOA 0.009088 0.40781 6.13811
38 2WK9 PLG 0.000114 0.52198 6.16967
39 2WK9 PLP 0.0001195 0.51781 6.16967
40 4HVK PMP 0.001585 0.42435 6.28272
41 2XBN PMP 0.000231 0.49701 6.90537
42 5W70 9YM 0.0001158 0.50122 7.16113
43 2ZYJ PGU 0.000000008386 0.71482 7.41688
44 1PMO PLR 0.000407 0.46324 7.67263
45 2ZC0 PMP 0.000000007643 0.62929 7.92839
46 5DJ3 5DK 0.00002507 0.53012 9.04255
47 4RKC PMP 0.0000007887 0.59104 9.46292
48 4FL0 PLP 0.000000009476 0.67537 10.2302
49 1UU1 PMP HSA 0.00000001051 0.57715 11.0448
50 1YAA MAE 0.01931 0.4007 11.2532
51 1DFO PLG 0.001027 0.4564 11.7647
52 4IYO 0JO 0.0001123 0.45139 12.7877
53 4IY7 KOU 0.0001017 0.45117 12.7877
54 4IY7 0JO 0.000105 0.45081 12.7877
55 2R5C C6P 0.00000002886 0.67155 13.2992
56 2R5E QLP 0.00000003038 0.57546 13.2992
57 1GEX PLP HSA 0.00000002639 0.52113 13.764
58 3FGZ BEF 0.01168 0.40463 15.625
59 1GCK ASP PLP 0.000000007009 0.59643 15.8442
60 3CQ5 PMP 0.0000000004706 0.77572 16.8022
61 2R2N PMP 0.000000005153 0.68748 16.8798
62 2R2N KYN 0.00000003162 0.4868 16.8798
63 4R5Z PMP 0.000000001974 0.59065 16.8937
64 4R5Z SIN 0.000000004006 0.52833 16.8937
65 1LC8 33P 0.00000003208 0.5087 17.3077
66 3E2Y PMP 0.000000008096 0.67849 17.9028
67 1M7Y PPG 0.0000002857 0.64691 17.9028
68 4JE5 PMP 0.0000001497 0.63025 18.9258
69 4JE5 PLP 0.000000185 0.62593 18.9258
70 3EI9 PL6 0.00000001387 0.55651 19.6759
71 4LNL 2BO 0.003779 0.42353 26.1261
72 4LNL PLG 0.00404 0.41994 26.1261
Pocket No.: 3; Query (leader) PDB : 3BWN; Ligand: PMP; 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: 3bwn.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3BWN; Ligand: PMP; Similar sites found: 8
This union binding pocket(no: 4) in the query (biounit: 3bwn.bio2) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5HIP 61O 0.01467 0.40728 1.32013
2 5HRA DAS 0.0108 0.402 1.70213
3 5CUQ NSC 0.01027 0.41653 2.24719
4 5ML3 DL3 0.04346 0.40087 3.3557
5 2XMY CDK 0.03797 0.42127 5.03356
6 5EYP GDP 0.02975 0.40062 6.29213
7 2AY3 MPP 0.005327 0.40092 8.69565
8 1ORR NAD 0.03934 0.40012 10.0865
Feedback