Receptor
PDB id Resolution Class Description Source Keywords
1HV6 2 Å EC: 4.2.2.3 CRYSTAL STRUCTURE OF ALGINATE LYASE A1-III COMPLEXED WITH TRISACCHARIDE PRODUCT. SPHINGOMONAS SP. ALGINATE LYASE TRISACCHARIDE COMPLEX ALPHA BARREL LYASE
Ref.: CRYSTAL STRUCTURE OF ALGINATE LYASE A1-III COMPLEXE TRISACCHARIDE PRODUCT AT 2.0 A RESOLUTION. J.MOL.BIOL. V. 307 9 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:801;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
GCU MAV MAW B:1;
Valid;
none;
submit data
525.348 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1HV6 2 Å EC: 4.2.2.3 CRYSTAL STRUCTURE OF ALGINATE LYASE A1-III COMPLEXED WITH TRISACCHARIDE PRODUCT. SPHINGOMONAS SP. ALGINATE LYASE TRISACCHARIDE COMPLEX ALPHA BARREL LYASE
Ref.: CRYSTAL STRUCTURE OF ALGINATE LYASE A1-III COMPLEXE TRISACCHARIDE PRODUCT AT 2.0 A RESOLUTION. J.MOL.BIOL. V. 307 9 2001
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1HV6 - GCU MAV MAW n/a n/a
2 4F10 - BEM LGU n/a n/a
3 4F13 - BEM BEM BEM MAW n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1HV6 - GCU MAV MAW n/a n/a
2 4F10 - BEM LGU n/a n/a
3 4F13 - BEM BEM BEM MAW n/a n/a
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1HV6 - GCU MAV MAW n/a n/a
2 4F10 - BEM LGU n/a n/a
3 4F13 - BEM BEM BEM MAW n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GCU MAV MAW; Similar ligands found: 22
No: Ligand ECFP6 Tc MDL keys Tc
1 GCU MAV MAW 1 1
2 MAV LGU MAV BEM 1 1
3 LGU MAW 0.852459 0.96875
4 GTR RAM AQA 0.68 0.939394
5 ADA ADA ADA ADA ADA ADA 0.594203 0.9375
6 ADA ADA ADA ADA ADA 0.594203 0.9375
7 ADA ADA ADA ADA 0.594203 0.9375
8 83Y BDP 83Y GCD 0.588889 0.632653
9 LGU MAV BEM 0.546667 0.857143
10 ADA ADA ADA ADA ADA M8C 0.539474 0.882353
11 ADA ADA 0.536232 0.90625
12 ADA M8C M8C M8C ADA ADA 0.5125 0.857143
13 GTR RAM GTR RAM GTR RAM 0.5125 0.882353
14 ADA ADA ADA ADA M8C M8C 0.506173 0.857143
15 RAM GAD 0.493333 0.909091
16 ADA M8C M8C M8C M8C ADA 0.4875 0.857143
17 M8C ADA ADA ADA ADA M8C 0.481481 0.857143
18 M8C ADA ADA ADA M8C M8C 0.46988 0.857143
19 ADA AQA 0.466667 0.828571
20 BGC RAM BGC GAD 0.4375 0.775
21 NAG GAD 0.413793 0.62
22 RAM ADA RAM 0.402439 0.794118
Similar Ligands (3D)
Ligand no: 1; Ligand: GCU MAV MAW; Similar ligands found: 8
No: Ligand Similarity coefficient
1 BMA BMA BMA 0.9466
2 BMA BMA BGC 0.9231
3 MAN BMA BMA 0.9127
4 BGC BGC BGC 0.8932
5 GLC BGC BGC 0.8906
6 GCS GCS GCS 0.8884
7 G2I 0.8702
8 BGC OXZ BGC 0.8696
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1HV6; Ligand: GCU MAV MAW; 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: 1hv6.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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