Receptor
PDB id Resolution Class Description Source Keywords
5JO1 2.3 Å EC: 3.1.3.16 CRYSTAL STRUCTURE OF PHASEIC ACID-BOUND ABSCISIC ACID RECEPT COMPLEX WITH TYPE 2C PROTEIN PHOSPHATASE HAB1 ARABIDOPSIS THALIANA ABA RECEPTOR PHASEIC ACID HAB1 PYR/PYL SIGNALING PROTEINHYDROLASE COMPLEX
Ref.: CO-EVOLUTION OF HORMONE METABOLISM AND SIGNALING NE EXPANDS PLANT ADAPTIVE PLASTICITY. CELL V. 166 881 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG B:602;
B:601;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
6LM A:800;
Valid;
none;
submit data
282.332 C15 H22 O5 C[C@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5JO1 2.3 Å EC: 3.1.3.16 CRYSTAL STRUCTURE OF PHASEIC ACID-BOUND ABSCISIC ACID RECEPT COMPLEX WITH TYPE 2C PROTEIN PHOSPHATASE HAB1 ARABIDOPSIS THALIANA ABA RECEPTOR PHASEIC ACID HAB1 PYR/PYL SIGNALING PROTEINHYDROLASE COMPLEX
Ref.: CO-EVOLUTION OF HORMONE METABOLISM AND SIGNALING NE EXPANDS PLANT ADAPTIVE PLASTICITY. CELL V. 166 881 2016
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 19 families.
1 5JO2 - A8S C15 H20 O4 CC1=CC(=O)....
2 5JO1 - 6LM C15 H22 O5 C[C@@H](CC....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 14 families.
1 4DS8 - A8S C15 H20 O4 CC1=CC(=O)....
2 5JO2 - A8S C15 H20 O4 CC1=CC(=O)....
3 5JO1 - 6LM C15 H22 O5 C[C@@H](CC....
50% Homology Family (15)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 4LA7 ic50 = 267 nM A1O C20 H24 N2 O3 S CCCN1c2ccc....
2 3KB3 - A8S C15 H20 O4 CC1=CC(=O)....
3 3QN1 - A8S C15 H20 O4 CC1=CC(=O)....
4 3ZVU Kd = 97 uM A8S C15 H20 O4 CC1=CC(=O)....
5 4WVO ic50 = 32 nM 3UZ C23 H22 Cl N O4 COc1cc(ccc....
6 3UJL - A8S C15 H20 O4 CC1=CC(=O)....
7 3NMV - PYV C16 H13 Br N2 O2 S c1ccc2c(c1....
8 5MN0 - A8S C15 H20 O4 CC1=CC(=O)....
9 4DS8 - A8S C15 H20 O4 CC1=CC(=O)....
10 3KDJ - A8S C15 H20 O4 CC1=CC(=O)....
11 3JRQ - A8S C15 H20 O4 CC1=CC(=O)....
12 3NMN - PYV C16 H13 Br N2 O2 S c1ccc2c(c1....
13 5JO2 - A8S C15 H20 O4 CC1=CC(=O)....
14 5JO1 - 6LM C15 H22 O5 C[C@@H](CC....
15 4OIC Kd = 31.3 uM A8S C15 H20 O4 CC1=CC(=O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 6LM; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 6LM 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5JO1; Ligand: 6LM; Similar sites found: 96
This union binding pocket(no: 1) in the query (biounit: 5jo1.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2VWA PTY 0.001912 0.46666 None
2 4OAR 2S0 0.004701 0.40606 2.32558
3 2QES ADE 0.03165 0.40092 3.06513
4 5IXK 6EW 0.005372 0.40361 3.07018
5 2VK2 GZL 0.008117 0.42766 3.26797
6 5F5N 5VD 0.01368 0.40312 3.80623
7 4XBT 3ZQ 0.01009 0.4094 3.87097
8 1J78 OLA 0.0032 0.45136 3.8806
9 4TQ3 GPP 0.01528 0.40083 3.9604
10 4XAC AKG 0.0194 0.40881 3.96825
11 3P9T TCL 0.01473 0.40549 4.10959
12 5M8T 0TR 0.02696 0.40208 4.1791
13 5INJ 6C7 0.01172 0.4216 4.32432
14 3PUR 2HG 0.02218 0.40719 4.32432
15 5DMM HCS 0.0281 0.4053 4.32432
16 5CHR 4NC 0.02903 0.40107 4.37956
17 5A7C 5D4 0.02765 0.40102 4.42478
18 3A51 VDY 0.00919 0.40373 4.47761
19 1DKF OLA 0.005599 0.4174 4.68085
20 5T9C G3P 0.02178 0.40663 4.86486
21 1ZTH ADP 0.01442 0.40594 4.86486
22 5TPC GAL SIA NGA GAL SIA 0.01892 0.40419 4.86486
23 1ZP9 ATP 0.01055 0.40101 4.86486
24 3GL0 HXX 0.01058 0.40844 5.07463
25 1Y75 NAG 0.01942 0.40364 5.08475
26 1EPB REA 0.008864 0.40444 5.4878
27 1DRJ RIP 0.01583 0.41524 5.53506
28 5DJ5 GR2 0.006603 0.42706 5.61798
29 3WCA FPS 0.00522 0.4168 5.67164
30 5VZ0 2BA 0.01946 0.40359 5.67164
31 3R4Z GLA 0.02762 0.40103 5.67164
32 3CMJ SRT 0.02317 0.40084 5.67164
33 1ZDU P3A 0.001594 0.40089 5.71429
34 2HZQ STR 0.02132 0.40817 5.74713
35 5EY0 GTP 0.00357 0.43543 5.83942
36 3S0E EOL 0.004773 0.42061 5.88235
37 4MGD 27N 0.01077 0.40423 5.88235
38 4L77 CNL 0.005887 0.43451 5.94595
39 4MRP GSH 0.03687 0.40518 5.94595
40 2Q1H AS4 0.007073 0.40182 5.94595
41 2VDY HCY 0.02772 0.40119 5.97015
42 4TV1 36M 0.001681 0.46234 5.9761
43 3UUA 0CZ 0.01324 0.40776 5.9761
44 3M3E GAL A2G NPO 0.01966 0.40125 6.21118
45 5UGW GSH 0.0001111 0.52331 6.28571
46 3TL1 JRO 0.008445 0.42649 6.28931
47 4IA6 EIC 0.007665 0.43185 6.48649
48 1Z03 OCH 0.01335 0.41629 6.48649
49 3UXM 0DN 0.01067 0.40825 6.48649
50 4FXQ G9L 0.02983 0.40003 6.48649
51 5LE1 6UW 0.01248 0.40882 6.76692
52 3SAO NKN 0.0082 0.40972 6.875
53 3KO0 TFP 0.003118 0.45706 6.93069
54 3O01 DXC 0.0007176 0.48277 7.02703
55 2BJ4 OHT 0.004987 0.40498 7.14286
56 2YIP YIO 0.02077 0.40691 7.24638
57 5DX3 EST 0.01155 0.40661 7.27969
58 3SE5 ANP 0.01057 0.40099 7.31707
59 1TZD ADP 0.01811 0.4052 7.56757
60 2W3L DRO 0.0264 0.40271 7.63889
61 2GBB CIT 0.002784 0.44573 8.33333
62 3B00 16A 0.01795 0.4013 8.45588
63 2YJD YJD 0.002216 0.43167 8.64865
64 4HN1 TYD 0.01664 0.40292 8.95522
65 4I3G BGC 0.02167 0.40124 8.95522
66 1SBR VIB 0.02624 0.40116 9
67 1RL4 BL5 0.02779 0.40575 9.18919
68 3RGA LSB 0.01086 0.40045 9.18919
69 1SGJ OAA 0.002529 0.43316 9.72973
70 3LXI CAM 0.02501 0.40348 9.72973
71 5LX9 OLB 0.004904 0.42006 9.85915
72 4MLN ODV 0.009607 0.42362 10.2041
73 4R78 AMP 0.0161 0.40771 10.8108
74 5HWK BEZ 0.02335 0.40353 10.8108
75 4DO1 ANN 0.02994 0.40047 11.0448
76 1XMY ROL 0.02023 0.40274 11.8919
77 3Q8G PEE 0.02891 0.4039 12.4324
78 4BPZ GLC BGC BGC 0.02191 0.40101 12.4324
79 5W3Y IHP 0.01944 0.40789 12.973
80 2VFK AMP 0.005193 0.43726 13.5135
81 3KFF XBT 0.01582 0.4125 13.5802
82 3KFF ZBT 0.01582 0.4125 13.5802
83 1MID LAP 0.007849 0.41881 14.2857
84 2IDO TMP 0.01269 0.42399 15.6627
85 2IOY RIP 0.0104 0.42578 15.6757
86 2X05 X05 0.01118 0.4073 15.6757
87 3AQT RCO 0.0118 0.42264 17.2973
88 3AVS OGA 0.02107 0.40185 17.8378
89 4DOL PLM 0.002799 0.42307 18.3784
90 5EXA 5SO 0.01412 0.41057 18.3784
91 3ZCB ATP 0.006518 0.41434 19.3548
92 1EYQ NAR 0.02032 0.40265 20
93 4REI 3MV 0.01123 0.42079 22.5166
94 3N7S 3N7 0.02857 0.40738 26.9565
95 5N8V KZZ 0.01982 0.40319 30.4348
96 4RJD TFP 0.003756 0.44364 31.8182
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