Receptor
PDB id Resolution Class Description Source Keywords
4F13 2.21 Å EC: 4.2.2.3 ALGINATE LYASE A1-III Y246F COMPLEXED WITH TETRASACCHARIDE SPHINGOMONAS ALPHA BARREL POLYSACCHARIDE LYASE ALGINATE 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 D:1;
Valid;
none;
submit data
n/a n/a
BEM BEM BEM MAW C: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; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Ligand no: 2; Ligand: BEM BEM BEM MAW; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: BEM BEM; Similar ligands found: 34
No: Ligand Similarity coefficient
1 BEM BEM 1.0000
2 BMA BMA 0.9528
3 MAN BMA 0.9366
4 MAV BEM 0.9339
5 MVL BMA 0.9275
6 BMA BGC 0.9255
7 BGC BGC 0.9250
8 BMA IFM 0.9230
9 IFM BMA 0.9228
10 LGU MAW 0.9164
11 BMA MVL 0.9121
12 9MR 0.9108
13 BEM LGU 0.9099
14 GLC BGC 0.9079
15 BGC OXZ 0.9078
16 IFM BGC 0.9058
17 BMA GAL 0.9038
18 GLC GLC 0.9025
19 SHG BGC 0.9001
20 GCS GCS 0.8998
21 BGC GAL 0.8985
22 ABL 0.8982
23 SGC BGC 0.8935
24 BGC Z9D 0.8896
25 PA1 GCS 0.8875
26 MGL SGC 0.8846
27 GLC GAL 0.8834
28 NOY BGC 0.8811
29 ZT2 0.8777
30 RR7 GLC 0.8771
31 BGC GLC 0.8769
32 MYG 0.8752
33 IDC 0.8713
34 MGL GAL 0.8690
Ligand no: 2; Ligand: BEM BEM BEM MAW; Similar ligands found: 5
No: Ligand Similarity coefficient
1 BEM BEM BEM MAW 1.0000
2 BEM BEM LGU MAW 0.9427
3 BMA BMA BMA BMA 0.8956
4 MAV LGU MAV BEM 0.8744
5 BGC BGC BGC BGC 0.8681
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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