Receptor
PDB id Resolution Class Description Source Keywords
11AS 2.5 Å EC: 6.3.1.1 ASPARAGINE SYNTHETASE MUTANT C51A, C315A COMPLEXED WITH L- ASPARAGINE ESCHERICHIA COLI K12 LIGASE ASPARAGINE SYNTHETASE NITROGEN FIXATION
Ref.: CRYSTAL STRUCTURE OF ASPARAGINE SYNTHETASE REVEALS A CLOSE EVOLUTIONARY RELATIONSHIP TO CLASS II AMINOACYL-TRNA SYNTHETASE. NAT.STRUCT.BIOL. V. 5 15 1998
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ASN A:331;
B:331;
Valid;
Valid;
none;
none;
submit data
132.118 C4 H8 N2 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
12AS 2.2 Å EC: 6.3.1.1 ASPARAGINE SYNTHETASE MUTANT C51A, C315A COMPLEXED WITH L- ASPARAGINE AND AMP ESCHERICHIA COLI K12 LIGASE ASPARAGINE SYNTHETASE NITROGEN FIXATION
Ref.: CRYSTAL STRUCTURE OF ASPARAGINE SYNTHETASE REVEALS A CLOSE EVOLUTIONARY RELATIONSHIP TO CLASS II AMINOACYL-TRNA SYNTHETASE. NAT.STRUCT.BIOL. V. 5 15 1998
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 11AS - ASN C4 H8 N2 O3 C(C(C(=O)O....
2 12AS - AMP C10 H14 N5 O7 P c1nc(c2c(n....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 11AS - ASN C4 H8 N2 O3 C(C(C(=O)O....
2 12AS - AMP C10 H14 N5 O7 P c1nc(c2c(n....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 11AS - ASN C4 H8 N2 O3 C(C(C(=O)O....
2 12AS - AMP C10 H14 N5 O7 P c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ASN; Similar ligands found: 23
No: Ligand ECFP6 Tc MDL keys Tc
1 ASN 1 1
2 ASP 0.636364 0.793103
3 DAS 0.636364 0.793103
4 2RA 0.545455 0.65625
5 DSN 0.545455 0.625
6 ABA 0.545455 0.6
7 DBB 0.545455 0.6
8 SER 0.545455 0.625
9 CYS 0.521739 0.612903
10 DCY 0.521739 0.612903
11 SD4 0.5 0.756757
12 GLN 0.481481 0.833333
13 DGN 0.481481 0.833333
14 DAB 0.48 0.636364
15 HSE 0.48 0.666667
16 API 0.461538 0.65625
17 CSO 0.461538 0.611111
18 AS2 0.461538 0.785714
19 GGL 0.428571 0.677419
20 DGL 0.428571 0.677419
21 GLU 0.428571 0.677419
22 HGY 0.428571 0.6
23 ONL 0.4 0.617647
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 12AS; Ligand: AMP; Similar sites found: 68
This union binding pocket(no: 1) in the query (biounit: 12as.bio1) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 3REU ATP 0.000000002568 0.70811
2 3NEM AMO 0.0000000002529 0.68951
3 3NEM ATP 0.00000005626 0.68485
4 3G1Z AMP 0.00000009696 0.67307
5 2XGT NSS 0.000000004353 0.6335
6 3A5Z KAA 0.00000001691 0.61704
7 3E9I XAH 0.00000001587 0.6166
8 3A5Y KAA 0.000000003679 0.61366
9 3E9I XAH 0.0000000207 0.61205
10 2ZTG A5A 0.0000003573 0.61055
11 3A5Y KAA 0.0000000088 0.60744
12 1X54 4AD 0.00000002217 0.59295
13 3BJU ATP 0.000002352 0.58782
14 3BJU ATP 0.000002352 0.58782
15 3A5Z KAA 0.0000000231 0.58525
16 3BJU ATP 0.000002857 0.58381
17 1SES AHX 0.000002123 0.58245
18 3QO8 SSA 0.000002306 0.58077
19 2I4O ATP 0.000007253 0.57969
20 1G51 AMO 0.0000002206 0.56701
21 2I4O ATP 0.00001425 0.56508
22 1E1O LYS 0.0000003737 0.56365
23 3HXU A5A 0.00000126 0.55955
24 1B7Y FYA 0.0000007391 0.55189
25 1SES AMP 0.000115 0.52667
26 2J3M ATP 0.00000856 0.52461
27 4CS4 ANP 0.0000000329 0.52275
28 2J3M PRI 0.00001277 0.51227
29 4H2X G5A 0.00003983 0.51181
30 1WLE SRP 0.0000007377 0.50474
31 3IAL PR8 0.00002904 0.50233
32 3TEG DAH 0.00005064 0.49697
33 2CJA ATP 0.0001588 0.49529
34 4H2V AMP 0.00005842 0.49431
35 4H2W AMP 0.0001737 0.49349
36 4CS4 AXZ 0.0000000508 0.48531
37 2CJ9 SSA 0.000003316 0.48451
38 3MF2 AMP 0.0001185 0.4767
39 4H2W 5GP 0.0005804 0.46442
40 4HWS 1B3 0.0001786 0.45726
41 3UH0 TSB 0.0001228 0.44852
42 3CM2 X23 0.008272 0.43958
43 3CV2 COA 0.01038 0.43724
44 3CV2 COA 0.01067 0.43658
45 3CM2 X23 0.01092 0.4348
46 3CM2 X23 0.01093 0.43449
47 3CM2 X23 0.0111 0.43266
48 3CM2 X23 0.0111 0.43266
49 3CM2 X23 0.01239 0.43002
50 4MTI 2DX 0.01337 0.42771
51 1B4N GUA 0.01118 0.42674
52 3CM2 X23 0.01576 0.42623
53 3CM2 X23 0.01373 0.42491
54 3CM2 X23 0.01373 0.42491
55 3CM2 X23 0.01566 0.42191
56 3CM2 X23 0.01566 0.42191
57 4MTI 2DX 0.01762 0.4192
58 2RHQ GAX 0.002823 0.41885
59 3CM2 X23 0.01795 0.41877
60 3CM2 X23 0.01795 0.41877
61 3QH2 3NM 0.01953 0.41683
62 2VSL MAA LYS PRO PHE 0.01651 0.41632
63 3ERR AMP 0.0001016 0.41538
64 1V3S ATP 0.006606 0.4095
65 2ED4 NAD 0.03502 0.40652
66 1OJ4 ANP 0.01548 0.40264
67 4K55 H6P 0.04508 0.40049
68 4R29 SAM 0.02845 0.40032
Pocket No.: 2; Query (leader) PDB : 12AS; Ligand: AMP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 12as.bio1) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
Feedback