Receptor
PDB id Resolution Class Description Source Keywords
1K7W 1.96 Å EC: 4.3.2.1 CRYSTAL STRUCTURE OF S283A DUCK DELTA 2 CRYSTALLIN MUTANT ANAS PLATYRHYNCHOS EYE LENS PROTEIN DELTA 2 CRYSTALLIN ARGININOSUCCINATE LYASE ENZYME MECHANISM
Ref.: MUTATIONAL ANALYSIS OF DUCK DELTA 2 CRYSTALLIN AND THE STRUCTURE OF AN INACTIVE MUTANT WITH BOUND SUBSTRATE PROVIDE INSIGHT INTO THE ENZYMATIC MECHANISM OF ARGININOSUCCINATE LYASE. J.BIOL.CHEM. V. 277 4166 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AS1 A:1004;
B:1003;
C:1001;
D:1002;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
290.273 C10 H18 N4 O6 [H]/N...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1K7W 1.96 Å EC: 4.3.2.1 CRYSTAL STRUCTURE OF S283A DUCK DELTA 2 CRYSTALLIN MUTANT ANAS PLATYRHYNCHOS EYE LENS PROTEIN DELTA 2 CRYSTALLIN ARGININOSUCCINATE LYASE ENZYME MECHANISM
Ref.: MUTATIONAL ANALYSIS OF DUCK DELTA 2 CRYSTALLIN AND THE STRUCTURE OF AN INACTIVE MUTANT WITH BOUND SUBSTRATE PROVIDE INSIGHT INTO THE ENZYMATIC MECHANISM OF ARGININOSUCCINATE LYASE. J.BIOL.CHEM. V. 277 4166 2002
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1DCN - AS1 C10 H18 N4 O6 [H]/N=C(/N....
2 1K7W - AS1 C10 H18 N4 O6 [H]/N=C(/N....
3 1TJW - AS1 C10 H18 N4 O6 [H]/N=C(/N....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1DCN - AS1 C10 H18 N4 O6 [H]/N=C(/N....
2 1K7W - AS1 C10 H18 N4 O6 [H]/N=C(/N....
3 1TJW - AS1 C10 H18 N4 O6 [H]/N=C(/N....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1DCN - AS1 C10 H18 N4 O6 [H]/N=C(/N....
2 1K7W - AS1 C10 H18 N4 O6 [H]/N=C(/N....
3 1TJW - AS1 C10 H18 N4 O6 [H]/N=C(/N....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: AS1; Similar ligands found: 33
No: Ligand ECFP6 Tc MDL keys Tc
1 AS1 1 1
2 HAR 0.591837 0.717391
3 NMM 0.591837 0.761905
4 1KJ 0.54717 0.6875
5 NRG 0.537037 0.672727
6 RPI 0.537037 0.76
7 D20 0.535714 0.723404
8 ILO 0.52 0.674419
9 2KJ 0.508772 0.673469
10 VUR 0.5 0.697674
11 4JK 0.5 0.72093
12 CIR 0.5 0.738095
13 WT2 0.490566 0.775
14 ARG 0.489796 0.8
15 DAR 0.489796 0.8
16 DA2 0.481481 0.6875
17 3KJ 0.472727 0.666667
18 JM2 0.464286 0.638298
19 LN6 0.448276 0.630435
20 RGE 0.448276 0.636364
21 2YH 0.446429 0.636364
22 JM7 0.440678 0.638298
23 HRG 0.433962 0.8
24 2YJ 0.431034 0.608696
25 3AR 0.428571 0.727273
26 PAO 0.428571 0.648148
27 NNH 0.423077 0.702128
28 VIO 0.421053 0.630435
29 2MR 0.421053 0.744186
30 JM8 0.419355 0.625
31 JM4 0.419355 0.612245
32 JM6 0.419355 0.612245
33 JM5 0.412698 0.625
Similar Ligands (3D)
Ligand no: 1; Ligand: AS1; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1K7W; Ligand: AS1; 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: 1k7w.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1K7W; Ligand: AS1; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1k7w.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1K7W; Ligand: AS1; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1k7w.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1K7W; Ligand: AS1; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1k7w.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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