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
LGU BEM B:401;
Valid;
none;
submit data n/a n/a n/a n/a
MAW LGU BEM BEM A:401;
Valid;
none;
submit data
700.464 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 COMPLEXALPHA 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 - MAW MAV GCU n/a n/a
2 4F10 - MAW LGU BEM BEM n/a n/a
3 4F13 - MAW BEM BEM BEM 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 - MAW MAV GCU n/a n/a
2 4F10 - MAW LGU BEM BEM n/a n/a
3 4F13 - MAW BEM BEM BEM 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 - MAW MAV GCU n/a n/a
2 4F10 - MAW LGU BEM BEM n/a n/a
3 4F13 - MAW BEM BEM BEM n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: LGU BEM; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Ligand no: 2; Ligand: MAW LGU BEM BEM; Similar ligands found: 24
No: Ligand ECFP6 Tc MDL keys Tc
1 MAW BEM BEM BEM 1 1
2 BEM MAV LGU MAV 1 1
3 MAW LGU BEM BEM 1 1
4 MAW MAV GCU 1 1
5 BEM MAV 0.852459 0.96875
6 AQA RAM GTR 0.68 0.939394
7 ADA ADA ADA ADA ADA ADA 0.594203 0.9375
8 ADA ADA ADA ADA 0.594203 0.9375
9 GTR ADA ADA 0.594203 0.9375
10 ADA ADA ADA ADA ADA 0.594203 0.9375
11 83Y BDP 83Y GCD 0.588889 0.632653
12 83Y GCB 83Y GCD 0.588889 0.632653
13 LGU MAV BEM 0.546667 0.857143
14 ADA ADA 0.536232 0.90625
15 UNG 0.520548 0.9375
16 UNF 0.520548 0.9375
17 RAM GTR RAM GTR RAM GTR 0.5125 0.882353
18 RAM GAD 0.493333 0.909091
19 BGC RAM BGC GAD 0.4375 0.775
20 GAD NDG 0.413793 0.62
21 NGA GCD 0.413793 0.62
22 GCD NGA 0.413793 0.62
23 NAG GAD 0.413793 0.62
24 RAM ADA RAM 0.402439 0.794118
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1HV6; Ligand: MAW MAV GCU; 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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