Receptor
PDB id Resolution Class Description Source Keywords
4KYR 2.3 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
PO4 A:301;
 Invalid;
 none;
 submit data
94.971 O4 P [O-]P...
GLC GLC GLC GLC GLC E:1;
D:1;
 Invalid;
Invalid;
 none;
none;
 submit data
828.72 n/a O(CC1...
GLC GLC GLC GLC GLC GLC C:1;
B:1;
 Invalid;
Valid;
 none;
none;
 submit data
972.846 n/a OCC1O...
View in 3D viewer
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 8 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 7 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 7 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 (2D)
Ligand no: 1; Ligand: GLC GLC GLC GLC GLC GLC; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC GLC GLC GLC GLC GLC GLC 1 1
2 GLC GLC GLC GLC GLC GLC 1 1
3 GLC GLC GLC GLC GLC GLC GLC GLC 1 1
4 GLC GLC GLC GLC 0.510638 0.939394
Similar Ligands (3D)
Ligand no: 1; Ligand: GLC GLC GLC GLC GLC GLC; Similar ligands found: 4
No: Ligand Similarity coefficient
1 BGC BGC BGC BGC BGC BGC 0.9686
2 GLC AC1 GLC AC1 0.9208
3 BGC AC1 GLC AC1 0.9117
4 BGC G6D GLC ACI GLD ACI 0.8960
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4KYQ; Ligand: FLC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4kyq.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
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