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Receptor
PDB id Resolution Class Description Source Keywords
4OIC 2 Å NON-ENZYME: OTHER CRYSTAL STRUCTRUAL OF A SOLUBLE PROTEIN ORYZA SATIVA JAPONICA GROUP START FOLD PYL-PHOSPHATASES COMPLEX ABA SIGNALING PATHWAYRECEPTOR-HYDROLASE COMPLEX
Ref.: IDENTIFICATION AND CHARACTERIZATION OF ABA RECEPTOR ORYZA SATIVA PLOS ONE V. 9 95246 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NA B:505;
Invalid;
none;
submit data
22.99 Na [Na+]
CL A:302;
Invalid;
none;
submit data
35.453 Cl [Cl-]
MN B:504;
B:501;
B:503;
B:502;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
54.938 Mn [Mn+2...
A8S A:301;
Valid;
none;
Kd = 31.3 uM
264.317 C15 H20 O4 CC1=C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4OIC 2 Å NON-ENZYME: OTHER CRYSTAL STRUCTRUAL OF A SOLUBLE PROTEIN ORYZA SATIVA JAPONICA GROUP START FOLD PYL-PHOSPHATASES COMPLEX ABA SIGNALING PATHWAYRECEPTOR-HYDROLASE COMPLEX
Ref.: IDENTIFICATION AND CHARACTERIZATION OF ABA RECEPTOR ORYZA SATIVA PLOS ONE V. 9 95246 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 4OIC Kd = 31.3 uM A8S C15 H20 O4 CC1=CC(=O)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 4OIC Kd = 31.3 uM A8S C15 H20 O4 CC1=CC(=O)....
50% Homology Family (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 4LA7 ic50 = 267 nM A1O C20 H24 N2 O3 S CCCN1c2ccc....
2 5VRO - A7S C20 H23 F N2 O3 S CCCN1c2ccc....
3 3KB3 - A8S C15 H20 O4 CC1=CC(=O)....
4 3QN1 - A8S C15 H20 O4 CC1=CC(=O)....
5 3ZVU Kd = 97 uM A8S C15 H20 O4 CC1=CC(=O)....
6 4WVO ic50 = 32 nM 3UZ C23 H22 Cl N O4 COc1cc(ccc....
7 3UJL - A8S C15 H20 O4 CC1=CC(=O)....
8 3NMV - PYV C16 H13 Br N2 O2 S c1ccc2c(c1....
9 5MN0 - A8S C15 H20 O4 CC1=CC(=O)....
10 4DS8 - A8S C15 H20 O4 CC1=CC(=O)....
11 3KDJ - A8S C15 H20 O4 CC1=CC(=O)....
12 3JRQ - A8S C15 H20 O4 CC1=CC(=O)....
13 3NMN - PYV C16 H13 Br N2 O2 S c1ccc2c(c1....
14 5JO2 - A8S C15 H20 O4 CC1=CC(=O)....
15 5JO1 - 6LM C15 H22 O5 C[C@@H](CC....
16 4OIC Kd = 31.3 uM A8S C15 H20 O4 CC1=CC(=O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: A8S; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 A8S 1 1
2 6AS 0.434211 0.725
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4OIC; Ligand: A8S; Similar sites found with APoc: 144
This union binding pocket(no: 1) in the query (biounit: 4oic.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 3UA1 08Y 2.14133
2 4MLN ODV 2.41546
3 3G5N PB2 2.41546
4 1HG4 LPP 2.50896
5 4L77 CNL 2.51256
6 3WCA FPS 2.89855
7 5AZC PGT 2.89855
8 4QJR PIZ 2.89855
9 1YP0 PEF 2.89855
10 1ZDT PEF 2.89855
11 1MID LAP 2.89855
12 5MEX SZZ 2.89855
13 1M2Z BOG 2.89855
14 1M2Z DEX 2.89855
15 3V66 D3A 2.94118
16 6D6L FY4 2.94118
17 2R40 EPH 2.99786
18 1NU4 MLA 3.09278
19 4LSJ LSJ 3.21199
20 1XSE NDP 3.38164
21 5K7K 6RJ 3.64026
22 2WSB NAD 3.64026
23 6CB2 OLC 3.86473
24 1UDY FAD 3.86473
25 1UDY CS8 3.86473
26 4MRP GSH 3.86473
27 4ARE FLC 3.86473
28 1OC2 TDX 4.02299
29 1OC2 NAD 4.02299
30 3P9T TCL 4.10959
31 1SGJ OAA 4.22535
32 4RP9 ASC 4.30108
33 2A3I C0R 4.34783
34 1YMT DR9 4.34783
35 5HCV 60R 4.34783
36 4UDB CV7 4.34783
37 1Z03 OCH 4.34783
38 5HGZ ACO 4.34783
39 5IXK 6EW 4.38596
40 3TL1 JRO 4.40252
41 1T27 PCW 4.42804
42 4P6X HCY 4.70588
43 2Q1H AS4 4.83092
44 6AYH C3G 4.83092
45 1T36 ORN 4.83092
46 2E56 MYR 4.86111
47 5WIU AQD 4.9763
48 5L7G 6QE 5.2459
49 5MWY YNU 5.2459
50 2BCG GER 5.31401
51 1R6N 434 5.31401
52 4D42 W0I 5.31401
53 4D42 NAP 5.31401
54 1ZED PNP 5.31401
55 6H8S FSZ 5.31561
56 2E2R 2OH 5.32787
57 1XMY ROL 5.52764
58 5LE1 6UW 5.6391
59 4F06 PHB 5.66038
60 5UGW GSH 5.71429
61 3G58 988 5.77428
62 3X01 AMP 5.7971
63 1OYJ GSH 5.7971
64 1SR7 MOF 5.7971
65 4OAR 2S0 5.7971
66 3D78 NBB 5.7971
67 5UC1 486 5.85586
68 5CXI 5TW 5.91133
69 3R4Z GLA 6.14973
70 4TV1 36M 6.28019
71 2QE4 JJ3 6.28019
72 4MGB XDH 6.28019
73 1ZDU P3A 6.28019
74 1YUC EPH 6.28019
75 4MGA 27L 6.28019
76 1YOK P6L 6.28019
77 5AAV GW5 6.28019
78 6CGN DA 6.28019
79 2V95 HCY 6.28019
80 5WGQ EST 6.28019
81 3UUA 0CZ 6.28019
82 5W19 9TD 6.28019
83 2OCI TYC 6.29921
84 5LWY OLB 6.72269
85 5U97 PIT 6.76329
86 1DKF OLA 6.76329
87 5W7D MYR 6.76329
88 2VPN 4CS 6.76329
89 5LX9 OLB 7.04225
90 5FQK 6NT 7.0632
91 5Z1N PEF 7.14286
92 5C1M OLC 7.2
93 5A8E XTK 7.24638
94 1ZPD CIT 7.24638
95 3KP6 SAL 7.28477
96 4WGF HX2 7.31707
97 6AYI C3G 7.53769
98 3HQP OXL 7.72947
99 2YOO K2B 7.72947
100 1HBK COA 7.86517
101 5CHR 4NC 8.0292
102 4E2J MOF 8.21256
103 3GN8 DEX 8.21256
104 5W7B MYR 8.69565
105 1ZGA HMK 8.69565
106 4TQ3 GPP 8.69565
107 3A51 VDY 8.75912
108 4O4Z N2O 9.09091
109 1WMA AB3 9.17874
110 5EY0 GTP 9.48905
111 2IDO TMP 9.63855
112 4IP7 FLC 9.66184
113 2BJ4 OHT 9.66184
114 3N7S 3N7 10.4348
115 5XJ7 87O 10.4478
116 2ZCQ B65 10.628
117 6C1S EFV 11.1111
118 4IA6 EIC 11.5942
119 1NNU TCT 11.6667
120 1NNU NAD 11.6667
121 2I0G I0G 12.0773
122 2YJD YJD 12.0833
123 5NTW 98N 13.5266
124 3V49 PK0 13.9098
125 2GBB CIT 14.1026
126 2BHW NEX 14.2241
127 2AX9 BHM 14.4531
128 5X3R 7Y3 15.122
129 2UW1 GVM 15.4589
130 3T7V MD0 15.4589
131 1TMX HGX 17.7474
132 6CI9 F3V 18.3575
133 5Z84 CHD 18.3673
134 5ZCO CHD 18.3673
135 5W97 CHD 18.3673
136 5M36 9SZ 18.4211
137 2OZ5 7XY 18.9189
138 3G08 FEE 21.2121
139 3QUZ QUV 21.2121
140 2Y69 CHD 21.7054
141 2RHW C0E 23.1884
142 4OGQ 7PH 23.4637
143 5M37 9SZ 25
144 4PSB GA3 27.7419
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