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Receptor
PDB id Resolution Class Description Source Keywords
1GXO 2.05 Å EC: 4.2.2.2 MUTANT D189A OF FAMILY 10 POLYSACCHARIDE LYASE FROM CELLVIBRIO CELLULOSA IN COMPLEX WITH TRIGALATURONIC ACID CELLVIBRIO CELLULOSA LYASE PECTATE MECHANISM ELIMINATION
Ref.: CONVERGENT EVOLUTION SHEDS LIGHT ON THE ANTI-BETA-ELIMINATION MECHANISM COMMON TO FAMILY 1 AND 10 POLYSACCHARIDE LYASES PROC.NATL.ACAD.SCI.USA V. 99 12067 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADA ADA ADA A:1649;
Valid;
none;
submit data
527.364 n/a O=C([...
CA A:1652;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1GXO 2.05 Å EC: 4.2.2.2 MUTANT D189A OF FAMILY 10 POLYSACCHARIDE LYASE FROM CELLVIBRIO CELLULOSA IN COMPLEX WITH TRIGALATURONIC ACID CELLVIBRIO CELLULOSA LYASE PECTATE MECHANISM ELIMINATION
Ref.: CONVERGENT EVOLUTION SHEDS LIGHT ON THE ANTI-BETA-ELIMINATION MECHANISM COMMON TO FAMILY 1 AND 10 POLYSACCHARIDE LYASES PROC.NATL.ACAD.SCI.USA V. 99 12067 2002
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 1GXO - ADA ADA ADA n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 1GXO - ADA ADA ADA n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 1GXO - ADA ADA ADA n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ADA ADA ADA; Similar ligands found: 11
No: Ligand ECFP6 Tc MDL keys Tc
1 ADA ADA ADA 1 1
2 ADA ADA ADA ADA ADA ADA 0.625 0.857143
3 ADA ADA ADA ADA ADA 0.625 0.857143
4 GTR ADA ADA 0.625 0.857143
5 ADA ADA ADA ADA 0.625 0.857143
6 ADA ADA 0.5625 0.828571
7 RAM ADA RAM 0.472973 0.72973
8 GCU XYP 0.457143 0.868421
9 LGU MAV BEM 0.447368 0.942857
10 RAM GTR RAM GTR RAM GTR 0.4375 0.810811
11 GCV XYP XYP 0.402299 0.868421
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1GXO; Ligand: ADA ADA ADA; Similar sites found with APoc: 25
This union binding pocket(no: 1) in the query (biounit: 1gxo.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 2PX6 DH9 1.89873
2 3HR1 PF9 2.40964
3 1EM6 NBG 2.40964
4 3LN0 52B 2.71084
5 5IKR ID8 2.71084
6 5BUK FAD 2.71084
7 2A1L PCW 2.96296
8 4O1Z MXM 3.01205
9 4ZL4 4PK 3.01205
10 5CJH 522 3.01205
11 3ZLR X0B 3.16456
12 6CAY ERG 3.5503
13 5LX9 OLA 3.90879
14 1DNP FAD 4.21687
15 3QCP FAD 4.21687
16 4DXJ 0M9 4.21687
17 2PFC PLM 4.37158
18 5O4J SAH 4.74453
19 1BGQ RDC 5.33333
20 3UR0 SVR 5.42169
21 4B16 NAG 7.89474
22 3P2H NOO 8.95522
23 6BE3 NAG 10.8434
24 6BYM HC3 11.8227
25 1JR8 FAD 14.5299
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