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;
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132.118 C4 H8 N2 O3 C([C@...
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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@@H](C....
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@@H](C....
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@@H](C....
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
Pocket no: 1; Query (leader) PDB : 12AS; Ligand: AMP; Similar sites found: 67
This union binding pocket (no: 1) in the query (biounit: 12as.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 12AS AMP 2.665e-15 1
2 3REU ATP 1.289e-09 0.7354
3 3NEM ATP 6.326e-09 0.72952
4 3NEM AMO 7.11e-09 0.72698
5 2ZTG A5A 1.184e-08 0.69795
6 3A5Z KAA 4.048e-08 0.68613
7 3A5Y KAA 5.642e-08 0.67897
8 3G1Z AMP 1.644e-08 0.6778
9 3HXU A5A 8.115e-08 0.66794
10 2XGT NSS 1.849e-07 0.66445
11 3E9I XAH 3.197e-07 0.65241
12 1WLE SRP 4.233e-07 0.63249
13 3BJU ATP 1.048e-07 0.60711
14 1G51 AMO 4.462e-06 0.58974
15 4H2V AMP 1.574e-05 0.55991
16 1SES AHX 1.162e-05 0.55577
17 4H2W AMP 1.155e-05 0.55286
18 3MF2 AMP 2.531e-05 0.5496
19 1SES AMP 2.195e-05 0.54227
20 2J3M ATP 3.623e-05 0.54183
21 2CJ9 SSA 2.244e-05 0.53887
22 4H2W 5GP 2.658e-05 0.5353
23 4H2X G5A 3.508e-05 0.5264
24 2I4O ATP 1.808e-05 0.52616
25 3IAL PR8 0.0001332 0.51572
26 4HWS 1B3 0.0005629 0.48801
27 4HVC ANP 0.0002284 0.47706
28 2CJA ATP 0.0003882 0.45193
29 1X54 4AD 0.008873 0.44979
30 4CS4 ANP 0.02871 0.44039
31 3TEG DAH 0.003976 0.43803
32 1V59 FAD 0.0148 0.43603
33 1N62 MCN 0.03106 0.41024
34 1Z82 G3P 0.04533 0.40046
35 2E5A LAQ 0.03962 0.39399
36 1KOJ PAN 0.0269 0.39302
37 4I5C C5I 0.02702 0.39293
38 3NRZ MTE 0.04413 0.39157
39 1CT9 AMP 0.0211 0.38994
40 4UUG PXG 0.03652 0.38982
41 4R29 SAM 0.01935 0.38934
42 4IZY 1J2 0.042 0.38674
43 4CPZ ZMR 0.02869 0.38569
44 4FL3 ANP 0.04201 0.38508
45 1CT9 IUM 0.0303 0.38232
46 2PS1 PRP 0.0468 0.38098
47 2VVS OAN 0.04731 0.38075
48 4R38 RBF 0.04961 0.3779
49 4MUQ 2D8 0.03514 0.37686
50 4MUS 2D8 0.03589 0.37642
51 4MUQ LY0 0.02981 0.37521
52 1YC4 43P 0.04538 0.37376
53 2HPL ASP 0.0185 0.37029
54 4H53 SLB 0.04178 0.36968
55 4NS0 PIO 0.006212 0.36916
56 3CV2 COA 0.007153 0.36815
57 2PL3 ADP 0.045 0.36804
58 2XZ9 PYR 0.03852 0.35847
59 1T2W LEU 0.03603 0.35124
60 1YP1 LYS 0.04012 0.34982
61 1VG0 GER 0.0429 0.34965
62 1I82 BGC 0.02572 0.3431
63 1USR SIA 0.0222 0.34302
64 1USR SIA 0.03027 0.33884
65 1LTZ HBI 0.03172 0.33865
66 1II7 DA 0.03614 0.33035
67 1WOG 16D 0.049 0.32709
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