Receptor
PDB id Resolution Class Description Source Keywords
4PSR 1.38 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF ALPHA-L-FUCOSIDASE FROM FUSARIUM GRAMIN THE OPEN FORM IN COMPLEX WITH L-FUCOSE FUSARIUM GRAMINEARUM FUCOSIDASE GH29 GLYCOSIDE HYDROLASE TIM BARREL N-GLYCOSYHYDROLASE
Ref.: STRUCTURE AND SUBSTRATE SPECIFICITY OF A EUKARYOTIC FUCOSIDASE FROM FUSARIUM GRAMINEARUM. J.BIOL.CHEM. V. 289 25624 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:620;
B:607;
A:621;
B:608;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
NA B:606;
A:619;
B:605;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
22.99 Na [Na+]
TRS B:604;
A:616;
B:603;
B:602;
A:618;
A:617;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
122.143 C4 H12 N O3 C(C(C...
NAG A:608;
B:601;
A:609;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
FUL A:622;
B:609;
Valid;
Valid;
none;
none;
submit data
164.156 C6 H12 O5 C[C@H...
NAG NAG MAN MAN BMA MAN A:613;
Invalid;
none;
submit data n/a n/a n/a n/a
NAG NAG BMA MAN MAN MAN MAN A:601;
Invalid;
none;
submit data
1219.11 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4PSR 1.38 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF ALPHA-L-FUCOSIDASE FROM FUSARIUM GRAMIN THE OPEN FORM IN COMPLEX WITH L-FUCOSE FUSARIUM GRAMINEARUM FUCOSIDASE GH29 GLYCOSIDE HYDROLASE TIM BARREL N-GLYCOSYHYDROLASE
Ref.: STRUCTURE AND SUBSTRATE SPECIFICITY OF A EUKARYOTIC FUCOSIDASE FROM FUSARIUM GRAMINEARUM. J.BIOL.CHEM. V. 289 25624 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 250 families.
1 4PSR - FUL C6 H12 O5 C[C@H]1[C@....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 217 families.
1 4PSR - FUL C6 H12 O5 C[C@H]1[C@....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 4PSR - FUL C6 H12 O5 C[C@H]1[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FUL; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 G6D 1 1
2 XXR 1 1
3 FUL 1 1
4 FUC 1 1
5 RAM 1 1
6 FCA 1 1
7 RM4 1 1
8 FCB 1 1
9 FUF 0.424242 0.846154
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4PSR; Ligand: FUL; Similar sites found: 12
This union binding pocket(no: 1) in the query (biounit: 4psr.bio2) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1KW6 BPY 0.0141 0.40368 2.73973
2 5L92 C0R 0.03856 0.40011 3.17073
3 3W8X FTK 0.0159 0.40375 3.20513
4 4EAY CS2 0.02448 0.4004 4.58937
5 3I53 SAH 0.01924 0.41406 5.42169
6 5GVL GI8 0.04656 0.40451 5.65611
7 5GVL PLG 0.04656 0.40451 5.65611
8 2P1M IHP 0.02615 0.40794 8.125
9 5U98 1KX 0.03649 0.41289 10.101
10 3UES DFU 0.000005559 0.47516 22.8033
11 2XIB DFU 0.0000002519 0.5338 34.4371
12 2ZX7 ZX7 0.0000001662 0.67931 49.6703
Pocket No.: 2; Query (leader) PDB : 4PSR; Ligand: FUL; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4psr.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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