Receptor
PDB id Resolution Class Description Source Keywords
4KYQ 1.64 Å EC: 3.1.3.- STRUCTURE OF A PRODUCT BOUND PLANT PHOSPHATASE ARABIDOPSIS THALIANA DUAL SPECIFICITY PHOSPHATASE (DSP) FOLD GLUCAN (STARCH) PHOCARBOHYDRATE/SUGAR BINDING CHLOROPLAST HYDROLASE SUGAR BPROTEIN
Ref.: STRUCTURE OF THE ARABIDOPSIS GLUCAN PHOSPHATASE LIK FOUR2 REVEALS A UNIQUE MECHANISM FOR STARCH DEPHOSPHORYLATION. PLANT CELL V. 25 2302 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FLC A:301;
Valid;
none;
submit data
189.1 C6 H5 O7 C(C(=...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4KYQ 1.64 Å EC: 3.1.3.- STRUCTURE OF A PRODUCT BOUND PLANT PHOSPHATASE ARABIDOPSIS THALIANA DUAL SPECIFICITY PHOSPHATASE (DSP) FOLD GLUCAN (STARCH) PHOCARBOHYDRATE/SUGAR BINDING CHLOROPLAST HYDROLASE SUGAR BPROTEIN
Ref.: STRUCTURE OF THE ARABIDOPSIS GLUCAN PHOSPHATASE LIK FOUR2 REVEALS A UNIQUE MECHANISM FOR STARCH DEPHOSPHORYLATION. PLANT CELL V. 25 2302 2013
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 4KYQ - FLC C6 H5 O7 C(C(=O)[O-....
2 4KYR - GLC GLC GLC GLC GLC GLC n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 4KYQ - FLC C6 H5 O7 C(C(=O)[O-....
2 4KYR - GLC GLC GLC GLC GLC GLC n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 4KYQ - FLC C6 H5 O7 C(C(=O)[O-....
2 4KYR - GLC GLC GLC GLC GLC GLC n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FLC; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 FLC 1 1
2 FE CIT 0.95 0.875
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4KYQ; Ligand: FLC; Similar sites found: 25
This union binding pocket(no: 1) in the query (biounit: 4kyq.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2X2T GAL NGA 0.01847 0.40843 None
2 2GUC MAN 0.01531 0.40207 None
3 3P9Y N7P THR SEP PRO SER TYR SET 0.002311 0.42266 2.52525
4 2OZ5 7XY 0.01101 0.40473 2.88462
5 4K79 GAL A2G 0.01999 0.4037 2.88462
6 3V0H I3P 0.00001927 0.45929 4.32692
7 1D1Q 4NP 0.00009033 0.5313 4.34783
8 1U26 IHS 0.00004945 0.47936 4.80769
9 3O5X JZG 0.000678 0.46056 5.28846
10 5KQG 6VX 0.0002139 0.49003 5.61798
11 2CJZ PTR 0.00005727 0.41048 5.76923
12 4J51 N75 0.0001794 0.40271 6.25
13 2H04 4UN 0.00005154 0.49466 7.21154
14 2CNE DFJ 0.00001906 0.54723 8.17308
15 3K7S R52 0.005774 0.42143 8.37989
16 1Q8S MAN MMA 0.02256 0.40073 10.0962
17 1OHE ACE ALA SEP PRO 0.00003971 0.45139 12.5
18 4GE6 B26 0.001737 0.40143 14.4231
19 3O2Q PRO THR SEP PRO SER TYR 0.003639 0.41609 15.8654
20 1PA9 CSN 0.00002651 0.51962 16.3462
21 2IMG MLT 0.00001556 0.42641 19.8675
22 4WOH 4NP 0.0000008685 0.42353 23.494
23 3F81 STT 0.000001348 0.65299 33.3333
24 4RKK GLC GLC GLC GLC GLC GLC 0.000598 0.45789 33.6538
25 3RGQ 5P5 0.0002513 0.50573 35.2564
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