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
543.363 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: 24
No: Ligand ECFP6 Tc MDL keys Tc
1 ADA ADA ADA ADA ADA 1 1
2 ADA ADA ADA ADA ADA ADA 1 1
3 ADA ADA ADA ADA 1 1
4 ADA ADA ADA 1 1
5 GTR ADA ADA 1 1
6 ADA ADA 0.918367 0.966667
7 ADA M8C M8C M8C ADA ADA 0.816667 0.909091
8 ADA M8C M8C M8C M8C ADA 0.783333 0.909091
9 ADA ADA ADA ADA ADA M8C 0.75 0.9375
10 ADA ADA ADA ADA ADA SHB 0.75 0.9375
11 ADA ADA ADA ADA M8C M8C 0.692308 0.909091
12 M8C ADA ADA ADA ADA M8C 0.661538 0.909091
13 RAM GTR RAM GTR RAM GTR 0.651515 0.9375
14 LGU MAV BEM 0.650794 0.909091
15 M8C ADA ADA ADA M8C M8C 0.641791 0.909091
16 MAW MAV GCU 0.594203 0.9375
17 BEM MAV LGU MAV 0.594203 0.9375
18 MAW LGU BEM BEM 0.594203 0.9375
19 MAW BEM BEM BEM 0.594203 0.9375
20 TGU 0.564516 0.933333
21 AD0 0.55 0.933333
22 BEM MAV 0.463768 0.90625
23 NAG BDP 0.438356 0.604167
24 GCU XYP 0.411765 0.736842
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: 12
This union binding pocket(no: 1) in the query (biounit: 1gxo.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2PX6 DH9 0.02477 0.40014 1.89873
2 3HR1 PF9 0.02307 0.40649 2.40964
3 5BUK FAD 0.04344 0.4129 2.71084
4 2A1L PCW 0.01675 0.43536 2.96296
5 1DNP FAD 0.01795 0.42282 4.21687
6 3QCP FAD 0.02692 0.4146 4.21687
7 4DXJ 0M9 0.03985 0.4024 4.21687
8 2PFC PLM 0.02239 0.40118 4.37158
9 1BGQ RDC 0.0122 0.43002 5.33333
10 3UR0 SVR 0.01608 0.4181 5.42169
11 3P2H NOO 0.02462 0.40095 8.95522
12 1JR8 FAD 0.03078 0.40486 14.5299
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