Receptor
PDB id Resolution Class Description Source Keywords
4TWL 2.11 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF DIOSCORIN COMPLEXED WITH ASCORBATE DIOSCOREA JAPONICA DIOSCORIN ASCORBATE CARBONIC ANHYDRASE DEHYDROASCORBATE RPLANT PROTEIN
Ref.: YAM TUBER STORAGE PROTEIN REDUCES PLANT OXIDANTS US COUPLED REACTIONS AS CARBONIC ANHYDRASE AND DEHYDRO REDUCTASE MOL PLANT V. 8 1115 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:301;
B:301;
A:302;
B:302;
B:303;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
ASC B:304;
A:303;
Valid;
Valid;
none;
none;
submit data
176.124 C6 H8 O6 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4TWL 2.11 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF DIOSCORIN COMPLEXED WITH ASCORBATE DIOSCOREA JAPONICA DIOSCORIN ASCORBATE CARBONIC ANHYDRASE DEHYDROASCORBATE RPLANT PROTEIN
Ref.: YAM TUBER STORAGE PROTEIN REDUCES PLANT OXIDANTS US COUPLED REACTIONS AS CARBONIC ANHYDRASE AND DEHYDRO REDUCTASE MOL PLANT V. 8 1115 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 4TWL - ASC C6 H8 O6 C([C@@H]([....
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 4TWL - ASC C6 H8 O6 C([C@@H]([....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 4TWL - ASC C6 H8 O6 C([C@@H]([....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ASC; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 ASC 1 1
2 ISD 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4TWL; Ligand: ASC; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4twl.bio3) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4TWL; Ligand: ASC; Similar sites found: 20
This union binding pocket(no: 2) in the query (biounit: 4twl.bio3) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3AVR OGA 0.01092 0.40582 1.62602
2 1A78 TDG 0.004499 0.42352 2.23881
3 3JRS A8S 0.02048 0.40839 2.40385
4 5FQK 6NT 0.01078 0.40464 2.43902
5 5W0N UPU 0.009249 0.40666 2.84553
6 4I9B 1KA 0.01087 0.40568 2.84553
7 3WV6 GAL BGC 0.002836 0.431 4.06504
8 5HGZ MLA 0.006102 0.42548 5.76132
9 1SLT NDG GAL 0.0053 0.41777 6.71642
10 4N14 WR7 0.01145 0.40797 8.13008
11 4QM9 CYS 0.01014 0.40716 12.1387
12 4WVW SLT 0.008697 0.40829 19.4444
13 5FL5 82E 0.0000000205 0.69452 42.6829
14 4Q0L V14 0.000000005046 0.75674 43.9024
15 1DMY AZM 0.00000001967 0.65554 43.9024
16 5CJF 520 0.0000000165 0.61298 43.9024
17 4QJP V1F 0.000000004418 0.51133 43.9024
18 4YGF AZM 0.000000002819 0.58234 44.0171
19 3FW3 ETS 0.00000000837 0.64969 44.7154
20 3ML5 AZM 0.000000001707 0.74559 46.3415
Pocket No.: 3; Query (leader) PDB : 4TWL; Ligand: ASC; Similar sites found: 9
This union binding pocket(no: 3) in the query (biounit: 4twl.bio2) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3AVS OGA 0.008783 0.41329 1.62602
2 5C8W PCG 0.01707 0.40199 2.0979
3 5H9Q TD2 0.009368 0.40975 3.22581
4 1KQN NAD 0.0475 0.40619 3.25203
5 5NFB 8VT 0.008335 0.40682 3.97727
6 2F5Z FAD 0.03973 0.4194 4.87805
7 2YMZ LAT 0.007261 0.40901 6.92308
8 3M3E GAL A2G NPO 0.01476 0.40048 9.31677
9 1C5C TK4 0.007592 0.41043 11.6822
Pocket No.: 4; Query (leader) PDB : 4TWL; Ligand: ASC; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 4twl.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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