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 1256 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 1068 families.
1 4OIC Kd = 31.3 uM A8S C15 H20 O4 CC1=CC(=O)....
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: 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: 46
This union binding pocket(no: 1) in the query (biounit: 4oic.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4MLN ODV 0.006348 0.42692 2.41546
2 3G5N PB2 0.01977 0.40468 2.41546
3 4L77 CNL 0.006372 0.42191 2.51256
4 3WCA FPS 0.00362 0.43499 2.89855
5 5AZC PGT 0.02488 0.42883 2.89855
6 5MEX SZZ 0.02406 0.40396 2.89855
7 4LSJ LSJ 0.008469 0.4071 3.21199
8 4MRP GSH 0.04043 0.40321 3.86473
9 4ARE FLC 0.01565 0.40314 3.86473
10 3P9T TCL 0.0118 0.40451 4.10959
11 1YMT DR9 0.007222 0.41953 4.34783
12 1Z03 OCH 0.01788 0.40423 4.34783
13 5HGZ ACO 0.01498 0.40048 4.34783
14 3TL1 JRO 0.005831 0.42878 4.40252
15 4ZOM 4Q3 0.02069 0.40814 4.44444
16 4P6X HCY 0.01089 0.4004 4.70588
17 1T36 ORN 0.01866 0.40329 4.83092
18 5L7G 6QE 0.002632 0.432 5.2459
19 1XMY ROL 0.01329 0.40624 5.52764
20 5LE1 6UW 0.009223 0.4091 5.6391
21 5UGW GSH 0.00006324 0.54343 5.71429
22 3G58 988 0.01301 0.40248 5.77428
23 1SR7 MOF 0.015 0.40839 5.7971
24 2Z7I 742 0.04975 0.40775 5.7971
25 4TV1 36M 0.00327 0.44141 6.28019
26 1YOK P6L 0.01256 0.4166 6.28019
27 3UUA 0CZ 0.01022 0.4075 6.28019
28 2OCI TYC 0.02316 0.40102 6.29921
29 1DKF OLA 0.005681 0.41115 6.76329
30 2VPN 4CS 0.01758 0.40546 6.76329
31 5LX9 OLB 0.009394 0.40122 7.04225
32 5FQK 6NT 0.01302 0.41361 7.0632
33 3HQP OXL 0.01176 0.40969 7.72947
34 5CHR 4NC 0.01545 0.41058 8.0292
35 4TQ3 GPP 0.008664 0.40675 8.69565
36 3A51 VDY 0.007314 0.40236 8.75912
37 2IDO TMP 0.0163 0.41157 9.63855
38 4IP7 FLC 0.01811 0.40395 9.66184
39 2BJ4 OHT 0.002721 0.40002 9.66184
40 3N7S 3N7 0.01777 0.41308 10.4348
41 2YJD YJD 0.002087 0.42653 12.0833
42 3V49 PK0 0.005499 0.42063 13.9098
43 2GBB CIT 0.002937 0.43838 14.1026
44 3T7V MD0 0.0141 0.40945 15.4589
45 3G08 FEE 0.02883 0.41256 21.2121
46 4PSB GA3 0.01501 0.41069 27.7419
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