Receptor
PDB id Resolution Class Description Source Keywords
4F10 2.2 Å EC: 4.2.2.3 ALGINATE LYASE A1-III H192A COMPLEXED WITH TETRASACCHARIDE SPHINGOMONAS ALPHA BARREL POLYSACCHARIDE LYASE ALIGINATE LYASE
Ref.: INDUCED-FIT MOTION OF A LID LOOP INVOLVED IN CATALY ALGINATE LYASE A1-III ACTA CRYSTALLOGR.,SECT.D V. 68 1207 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BEM BEM LGU MAW C:1;
 Valid;
 none;
 submit data
n/a n/a
BEM LGU D:1;
 Valid;
 none;
 submit data
n/a n/a
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: BEM BEM LGU MAW; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Ligand no: 2; Ligand: BEM LGU; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: BEM BEM LGU MAW; Similar ligands found: 2
No: Ligand Similarity coefficient
1 BEM BEM LGU MAW 1.0000
2 BEM BEM BEM MAW 0.9427
Ligand no: 2; Ligand: BEM LGU; Similar ligands found: 26
No: Ligand Similarity coefficient
1 BEM LGU 1.0000
2 BMA BMA 0.9450
3 MAV BEM 0.9342
4 BGC BGC 0.9233
5 IFM BMA 0.9214
6 BMA BGC 0.9192
7 MAN BMA 0.9185
8 BEM BEM 0.9099
9 GLC BGC 0.9067
10 BMA GAL 0.9044
11 BGC GAL 0.9016
12 GCS GCS 0.8980
13 GLC GLC 0.8977
14 SHG BGC 0.8976
15 GLC GAL 0.8965
16 LGU MAW 0.8941
17 IFM BGC 0.8854
18 BGC Z9D 0.8789
19 BGC OXZ 0.8775
20 ABL 0.8748
21 9MR 0.8722
22 PA1 GCS 0.8721
23 NOY BGC 0.8689
24 ZT2 0.8685
25 BMA IFM 0.8677
26 MGL GAL 0.8631
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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