Receptor
PDB id Resolution Class Description Source Keywords
1WOG 1.8 Å EC: 3.5.3.11 CRYSTAL STRUCTURE OF AGMATINASE REVEALS STRUCTURAL CONSERVATION AND INHIBITION MECHANISM OF THE UREOHYDROLASE S UPERFAMILY DEINOCOCCUS RADIODURANS ALPHA/BETA FOLD HYDROLASE
Ref.: CRYSTAL STRUCTURE OF AGMATINASE REVEALS STRUCTURAL CONSERVATION AND INHIBITION MECHANISM OF THE UREOHYDROLASE SUPERFAMILY J.BIOL.CHEM. V. 279 50505 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
16D A:1401;
B:1402;
C:1403;
D:1404;
E:1405;
F:1406;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
116.205 C6 H16 N2 C(CCC...
MN A:1601;
A:1602;
B:1603;
B:1604;
C:1605;
C:1606;
D:1607;
D:1608;
E:1609;
E:1610;
F:1611;
F:1612;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
54.938 Mn [Mn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1WOG 1.8 Å EC: 3.5.3.11 CRYSTAL STRUCTURE OF AGMATINASE REVEALS STRUCTURAL CONSERVATION AND INHIBITION MECHANISM OF THE UREOHYDROLASE S UPERFAMILY DEINOCOCCUS RADIODURANS ALPHA/BETA FOLD HYDROLASE
Ref.: CRYSTAL STRUCTURE OF AGMATINASE REVEALS STRUCTURAL CONSERVATION AND INHIBITION MECHANISM OF THE UREOHYDROLASE SUPERFAMILY J.BIOL.CHEM. V. 279 50505 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1WOG - 16D C6 H16 N2 C(CCCN)CCN
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1WOG - 16D C6 H16 N2 C(CCCN)CCN
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1WOG - 16D C6 H16 N2 C(CCCN)CCN
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 16D; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 16D 1 1
2 DIA 0.909091 1
3 N2P 0.818182 0.95
4 PUT 0.636364 0.9
5 13D 0.545455 0.727273
6 AML 0.4375 0.6
7 011 0.434783 0.666667
8 8AC 0.416667 0.666667
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1WOG; Ligand: 16D; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1wog.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1WOG; Ligand: 16D; Similar sites found: 30
This union binding pocket(no: 2) in the query (biounit: 1wog.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3TYZ PAB 0.03513 0.4016 1.42857
2 2NP9 YE1 0.04278 0.41229 1.96721
3 3T7S SAM 0.0199 0.40008 2.23881
4 3O26 NDP 0.03096 0.40469 2.29508
5 3MKN DNB 0.011 0.41332 2.62295
6 4YKI GLY 0.003095 0.42788 2.73438
7 1AE1 NAP 0.04559 0.40234 2.9304
8 1NP7 FAD 0.02275 0.42316 3.60656
9 3WV8 ATP 0.02216 0.40505 3.66972
10 2UUU FAD 0.04683 0.42006 4.59016
11 2UUU PL3 0.04683 0.42006 4.59016
12 5VKT NAP 0.04021 0.40177 4.91803
13 3A5Z KAA 0.02569 0.41472 5.2459
14 4U63 FAD 0.04402 0.40724 5.2459
15 3TN7 NJP 0.008134 0.44131 5.83658
16 5JWC FAD 0.03358 0.40948 6.88525
17 1S4M LUM 0.03464 0.40022 7.50853
18 2J4D FAD 0.02054 0.42562 7.54098
19 1Z4O GL1 0.008656 0.41734 8.59729
20 4IYO 0JO 0.007858 0.43031 9.18033
21 5TDF 7A3 0.009162 0.42218 11.8033
22 1U3D FAD 0.02882 0.41909 14.7541
23 3MMR ABH 0.00000007506 0.69836 26.2295
24 4Q3R XA2 0.00000004999 0.51602 29.8361
25 4Q3S X7A 0.000000041 0.5041 29.8361
26 4IU0 ABH 0.0000000406 0.70602 33.7705
27 4I06 X8A 0.00000007134 0.7041 38.0328
28 2AEB ABH 0.0000000954 0.71124 39.3443
29 1D3V ABH 0.00000005653 0.51459 39.3443
30 3CEV ARG 0.00000002431 0.71482 40.4682
Pocket No.: 3; Query (leader) PDB : 1WOG; Ligand: 16D; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1wog.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1WOG; Ligand: 16D; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1wog.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1WOG; Ligand: 16D; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1wog.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1WOG; Ligand: 16D; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 1wog.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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