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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 269 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 237 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 187 families.
1 3BWN - PMP PHE n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PMP; Similar ligands found: 83
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 2BK 0.553846 0.881356
9 2BO 0.553846 0.881356
10 TLP 0.553846 0.881356
11 PDD 0.546875 0.881356
12 PP3 0.546875 0.881356
13 PDA 0.546875 0.881356
14 ILP 0.544118 0.852459
15 IK2 0.538462 0.825397
16 33P 0.538462 0.896552
17 PMH 0.530303 0.742857
18 5PA 0.530303 0.825397
19 PLS 0.530303 0.866667
20 PLP 0.527273 0.767857
21 PPD 0.522388 0.866667
22 C6P 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 PDG 0.5 0.83871
35 CBA 0.5 0.83871
36 EA5 0.5 0.828125
37 3LM 0.5 0.787879
38 7XF 0.5 0.83871
39 7TS 0.5 0.702703
40 PGU 0.5 0.83871
41 9YM 0.493151 0.868852
42 DCS 0.492958 0.712329
43 PMG 0.492958 0.787879
44 LPI 0.492958 0.776119
45 LCS 0.492958 0.675676
46 76U 0.486111 0.825397
47 PY6 0.486111 0.787879
48 PL4 0.48 0.854839
49 PSZ 0.479452 0.8
50 N5F 0.479452 0.825397
51 0JO 0.462687 0.714286
52 4LM 0.462687 0.725806
53 AN7 0.461538 0.741379
54 PXG 0.460526 0.866667
55 RW2 0.460526 0.8
56 FOO 0.454545 0.75
57 PL8 0.454545 0.732394
58 NPL 0.45 0.898305
59 FEV 0.449275 0.714286
60 KAM 0.448718 0.825397
61 RMT 0.448718 0.765625
62 1D0 0.444444 0.8
63 2B1 0.443038 0.690141
64 7B9 0.443038 0.764706
65 P3D 0.442857 0.85
66 EVM 0.442857 0.786885
67 EPC 0.439394 0.789474
68 MP5 0.438596 0.728814
69 PLP CYS 0.43662 0.836066
70 EXT 0.432836 0.79661
71 AQ3 0.426829 0.8125
72 2B6 0.426829 0.662162
73 MPM 0.414286 0.75
74 F0G 0.414286 0.762712
75 PLP 2TL 0.410959 0.85
76 KOU 0.408451 0.8
77 PLP SEP 0.405405 0.85
78 PLP BH2 0.405405 0.85
79 SEP PLP 0.405405 0.85
80 HCP 0.402778 0.741935
81 LEU PLP 0.4 0.822581
82 Z98 0.4 0.777778
83 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 with APoc: 111
This union binding pocket(no: 1) in the query (biounit: 3bwn.bio3) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 4ZAH T5K 1.27877
2 2Z48 NGA 1.27877
3 1TOI HCI 1.53453
4 6C3C EJ1 1.53453
5 4O8A 2OP 1.53453
6 1CL2 PPG 1.53453
7 3T3Z 9PL 1.53453
8 2JK0 ASP 1.84615
9 4YFY 0FX 1.9685
10 1LW4 TLP 2.01729
11 1LW4 PLP 2.01729
12 5X30 7XF 2.04604
13 5X2Z 3LM 2.04604
14 5X30 4LM 2.04604
15 1GDE GLU PLP 2.05656
16 1E5F PLP 2.30179
17 2Z9V PXM 2.30179
18 5M3Z PY6 2.30179
19 5M3Z NLE 2.30179
20 5M3Z PLP 2.30179
21 3DR4 G4M 2.30179
22 6MB9 NMY 2.55474
23 5IWQ PLP 2.55754
24 6ECG PM9 2.55754
25 2TPL HPP 2.55754
26 3PDB PMP 2.8133
27 3PD6 PMP 2.8133
28 2PO3 T4K 2.8133
29 3PDB OAA 2.8133
30 3PD6 KYN 2.8133
31 2FYF PLP 2.8133
32 6CD1 PLG 2.8133
33 6CD1 PLS 2.8133
34 1U08 PLP 3.10881
35 3WGC PLG 3.22581
36 4AZJ SEP PLP 3.33333
37 1QFT HSM 3.42857
38 2CST MAE 3.58056
39 5W71 9YM 3.58056
40 5W71 PLP 3.58056
41 1FC4 AKB PLP 3.58056
42 1P0Z FLC 3.81679
43 6DND PLP 3.83632
44 3ZRR PXG 4.16667
45 5X20 AOT 4.16667
46 1J3R 6PG 4.21053
47 1AJS PLA 4.34783
48 5N17 8FK 4.34783
49 5IN3 G1P 4.60358
50 5TXR PLP 4.85933
51 3FRK TQP 4.85933
52 4K2M O1G 4.85933
53 1SOW OXL 4.87805
54 6CZY PMP 4.97238
55 6EWR PMP 5.11509
56 5K8B PDG 5.11509
57 1DJ9 KAM 5.20833
58 5W19 9TD 5.37084
59 1ELU PDA 5.64103
60 2WK9 PLG 6.16967
61 2WK9 PLP 6.16967
62 4HVK PMP 6.28272
63 5T4J PLP ABU 6.30137
64 2XBN PMP 6.90537
65 5W70 9YM 7.16113
66 2ZYJ PGU 7.41688
67 4I4S LAT 7.53425
68 1PMO PLR 7.67263
69 4WXG 2BO 7.67263
70 2ZC0 PMP 7.92839
71 1ONI BEZ 7.97101
72 5HDA SER MET PRO GLU LEU SER PRO VAL LEU 8.06452
73 5VYQ TYD 8.23529
74 1OXO IK2 8.4399
75 2AY3 MPP 8.69565
76 6C9B EGV 9.04255
77 6C92 EQJ 9.04255
78 6C8T EQJ 9.04255
79 6C92 EGV 9.04255
80 5YKT PMP 9.20716
81 4RKC PMP 9.46292
82 5DT6 GLU 9.73783
83 4FL0 PLP 10.2302
84 2Y9G LAT 10.6667
85 2Y9G LBT 10.6667
86 1UU1 PMP HSA 11.0448
87 1YAA MAE 11.2532
88 1DFO PLG 11.7647
89 4IY7 0JO 12.7877
90 4IY7 KOU 12.7877
91 4IYO 0JO 12.7877
92 2R5C C6P 13.2992
93 2R5E QLP 13.2992
94 1GEX PLP HSA 13.764
95 3FVU IAC 14.0665
96 1GCK ASP PLP 15.8442
97 3CQ5 PMP 16.8022
98 2R2N KYN 16.8798
99 2R2N PMP 16.8798
100 4R5Z PMP 16.8937
101 4R5Z SIN 16.8937
102 1LC8 33P 17.3077
103 1M7Y PPG 17.9028
104 5VEQ PMP 17.9028
105 4JE5 PMP 18.9258
106 4JE5 PLP 18.9258
107 3EI9 PL6 19.6759
108 1V2F HCI 23.622
109 4LNL PLG 26.1261
110 4LNL 2BO 26.1261
111 4LNL 2BK 26.1261
Pocket No.: 2; Query (leader) PDB : 3BWN; Ligand: PMP; Similar sites found with APoc: 123
This union binding pocket(no: 2) in the query (biounit: 3bwn.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 4ZAH T5K 1.27877
2 1JS3 PLP 142 1.27877
3 3VZ3 SSN 1.27877
4 1YIQ PQQ 1.27877
5 1TOI HCI 1.53453
6 6C3C EJ1 1.53453
7 1CL2 PPG 1.53453
8 1B9I PXG 1.54639
9 5HRA DAS 1.70213
10 4ZL4 4PK 1.79028
11 2JK0 ASP 1.84615
12 1LW4 PLP 2.01729
13 1LW4 TLP 2.01729
14 5X30 7XF 2.04604
15 5X30 4LM 2.04604
16 5X2Z 3LM 2.04604
17 5WKC FAD 2.04604
18 1GDE GLU PLP 2.05656
19 1E5F PLP 2.30179
20 3DR4 G4M 2.30179
21 5M3Z PLP 2.30179
22 2Z9V PXM 2.30179
23 5M3Z PY6 2.30179
24 5M3Z NLE 2.30179
25 4E1O PLP PVH 2.30179
26 5IWQ PLP 2.55754
27 6ECG PM9 2.55754
28 2TPL HPP 2.55754
29 3VP6 HLD 2.55754
30 1KOJ PAN 2.55754
31 3PD6 PMP 2.8133
32 3PDB PMP 2.8133
33 2PO3 T4K 2.8133
34 6CD1 PLS 2.8133
35 6CD1 PLG 2.8133
36 3PD6 KYN 2.8133
37 2FYF PLP 2.8133
38 1MAI I3P 3.05344
39 1U08 PLP 3.10881
40 3WGC PLG 3.22581
41 5TZJ UD1 3.32481
42 4AZJ SEP PLP 3.33333
43 1FC4 AKB PLP 3.58056
44 5W71 9YM 3.58056
45 5W71 PLP 3.58056
46 3EVG SAH 3.63636
47 1P0Z FLC 3.81679
48 6DND PLP 3.83632
49 2O2C G6Q 3.83632
50 4IF4 BEF 3.84615
51 6GSZ BGC 4.09207
52 3ZRR PXG 4.16667
53 1AJS PLA 4.34783
54 5N17 8FK 4.34783
55 4RJK TPP 4.34783
56 5TXR PLP 4.85933
57 3FRK TQP 4.85933
58 4K2M O1G 4.85933
59 1PVN MZP 4.85933
60 6F6D AKG 4.85933
61 6CZY PMP 4.97238
62 3NYC FAD 4.98688
63 3NYC IAR 4.98688
64 6EWR PMP 5.11509
65 1VJO PLP 5.11509
66 5K8B PDG 5.11509
67 3B8X G4M 5.12821
68 1DJ9 KAM 5.20833
69 5W19 9TD 5.37084
70 1ELU PDA 5.64103
71 2CXS F6P 5.88235
72 1WYV PLP AOA 6.13811
73 1JGT APC 6.13811
74 2WK9 PLG 6.16967
75 2WK9 PLP 6.16967
76 4HVK PMP 6.28272
77 5T4J PLP ABU 6.30137
78 2XBN PMP 6.90537
79 4R38 RBF 7.14286
80 5W70 9YM 7.16113
81 2ZYJ PGU 7.41688
82 4I4S LAT 7.53425
83 1PMO PLR 7.67263
84 4WXG 2BO 7.67263
85 2ZC0 PMP 7.92839
86 1OXO IK2 8.4399
87 3KV8 FAH 8.63309
88 2AY3 MPP 8.69565
89 6C92 EQJ 9.04255
90 6C9B EGV 9.04255
91 6C8T EQJ 9.04255
92 5YKT PMP 9.20716
93 4RKC PMP 9.46292
94 4FL0 PLP 10.2302
95 2Y9G LBT 10.6667
96 2Y9G LAT 10.6667
97 1UU1 PMP HSA 11.0448
98 1DFO PLG 11.7647
99 5TBM 79A 12.1739
100 4IYO 0JO 12.7877
101 4IY7 KOU 12.7877
102 4IY7 0JO 12.7877
103 2R5C C6P 13.2992
104 2R5E QLP 13.2992
105 1GEX PLP HSA 13.764
106 3FVU IAC 14.0665
107 3FGZ BEF 15.625
108 1GCK ASP PLP 15.8442
109 3CQ5 PMP 16.8022
110 2R2N PMP 16.8798
111 2R2N KYN 16.8798
112 4R5Z SIN 16.8937
113 4R5Z PMP 16.8937
114 1LC8 33P 17.3077
115 5VEQ PMP 17.9028
116 1M7Y PPG 17.9028
117 2YIP YIO 18.8406
118 4JE5 PMP 18.9258
119 4JE5 PLP 18.9258
120 3EI9 PL6 19.6759
121 4LNL PLG 26.1261
122 4LNL 2BO 26.1261
123 4LNL 2BK 26.1261
Pocket No.: 3; Query (leader) PDB : 3BWN; Ligand: PMP; Similar sites found with APoc: 10
This union binding pocket(no: 3) in the query (biounit: 3bwn.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 5HIP 61O 1.32013
2 5CUQ NSC 2.24719
3 3HQP OXL 2.30179
4 4YZC STU 3.83632
5 1H65 GDP 4.44444
6 4ZSY RW2 4.60358
7 5O0J 8BR 5.11509
8 4XXH T6P 6.27451
9 1H0H 2MD 6.54206
10 2CHT TSA 7.87402
Pocket No.: 4; Query (leader) PDB : 3BWN; Ligand: PMP; Similar sites found with APoc: 7
This union binding pocket(no: 4) in the query (biounit: 3bwn.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 4O8A 2OP 1.53453
2 5ML3 DL3 3.3557
3 1N1G BCP 3.55191
4 2XMY CDK 5.03356
5 5EYP GDP 6.29213
6 5DT6 GLU 9.73783
7 1ORR NAD 10.0865
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