Receptor
PDB id Resolution Class Description Source Keywords
5DNC 2.01 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF THE ASN-BOUND GUINEA PIG L-ASPARAGINASE CATALYTIC DOMAIN ACTIVE SITE MUTANT T19A CAVIA PORCELLUS ASPARAGINASE HYDROLASE
Ref.: EXPERIMENTAL DATA IN SUPPORT OF A DIRECT DISPLACEME MECHANISM FOR TYPE I/II L-ASPARAGINASES. J.BIOL.CHEM. V. 291 5088 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO C:602;
A:606;
B:603;
A:604;
B:605;
D:603;
B:602;
D:602;
C:604;
B:604;
A:603;
D:604;
D:605;
A:602;
C:603;
A:605;
C:605;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
ASN B:601;
A:601;
C:601;
D:601;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
132.118 C4 H8 N2 O3 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5DNC 2.01 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF THE ASN-BOUND GUINEA PIG L-ASPARAGINASE CATALYTIC DOMAIN ACTIVE SITE MUTANT T19A CAVIA PORCELLUS ASPARAGINASE HYDROLASE
Ref.: EXPERIMENTAL DATA IN SUPPORT OF A DIRECT DISPLACEME MECHANISM FOR TYPE I/II L-ASPARAGINASES. J.BIOL.CHEM. V. 291 5088 2016
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 250 families.
1 5DNC - ASN C4 H8 N2 O3 C([C@@H](C....
2 5DND - ASN C4 H8 N2 O3 C([C@@H](C....
3 5DNE - ASN C4 H8 N2 O3 C([C@@H](C....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 217 families.
1 5DNC - ASN C4 H8 N2 O3 C([C@@H](C....
2 5DND - ASN C4 H8 N2 O3 C([C@@H](C....
3 5DNE - ASN C4 H8 N2 O3 C([C@@H](C....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 5DNC - ASN C4 H8 N2 O3 C([C@@H](C....
2 5DND - ASN C4 H8 N2 O3 C([C@@H](C....
3 5DNE - ASN C4 H8 N2 O3 C([C@@H](C....
4 4R8L - ASP C4 H7 N O4 C([C@@H](C....
5 2HIM - ASP C4 H7 N O4 C([C@@H](C....
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 DBB 0.545455 0.6
5 ABA 0.545455 0.6
6 SER 0.545455 0.625
7 DSN 0.545455 0.625
8 2RA 0.545455 0.65625
9 DCY 0.521739 0.612903
10 CYS 0.521739 0.612903
11 SD4 0.5 0.756757
12 DGN 0.481481 0.833333
13 GLN 0.481481 0.833333
14 HSE 0.48 0.666667
15 DAB 0.48 0.636364
16 API 0.461538 0.65625
17 AS2 0.461538 0.785714
18 CSO 0.461538 0.611111
19 DGL 0.428571 0.677419
20 GGL 0.428571 0.677419
21 HGY 0.428571 0.6
22 GLU 0.428571 0.677419
23 ONL 0.4 0.617647
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5DNC; Ligand: ASN; 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: 5dnc.bio2) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5DNC; Ligand: ASN; 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: 5dnc.bio2) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5DNC; Ligand: ASN; 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: 5dnc.bio2) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5DNC; Ligand: ASN; 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: 5dnc.bio2) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 5DNC; Ligand: ASN; 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: 5dnc.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 5DNC; Ligand: ASN; Similar sites found: 51
This union binding pocket(no: 6) in the query (biounit: 5dnc.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4KRG SAH 0.01663 0.40145 1.28755
2 4DHY GLC 0.02874 0.4076 1.70576
3 2C6Q NDP 0.02185 0.42602 1.7094
4 5B3A 0JO 0.02396 0.40227 2.05656
5 1VB3 KPA 0.004268 0.41527 2.1028
6 2JLR ANP 0.01528 0.40327 2.21729
7 2C42 PYR 0.02496 0.41081 2.27457
8 2C42 TPP 0.02496 0.41081 2.27457
9 1X7D ORN 0.04187 0.40625 2.57143
10 4JBL MET 0.01376 0.4009 2.65487
11 2JFQ DGL 0.01081 0.40394 2.7972
12 2XTS MTE 0.006411 0.42948 3.07692
13 1F0X FAD 0.03297 0.41278 3.3275
14 4CZG QH3 0.03392 0.40922 3.44828
15 4CZG ADP 0.03246 0.40922 3.44828
16 3VY6 BGC BGC 0.002116 0.42979 3.5461
17 2VVT DGL 0.01154 0.40493 3.7931
18 3DLS ADP 0.006379 0.4174 3.8806
19 1T90 NAD 0.03788 0.40244 3.90947
20 5HSA FAS 0.007626 0.44972 3.91156
21 3II1 BGC 0.008548 0.40374 4.48598
22 3VZ3 SSN 0.02837 0.41337 4.59519
23 4Y0X ADP 0.01536 0.40109 5.33333
24 1N4W FAD 0.03161 0.41815 5.35714
25 5AHW CMP 0.002692 0.44241 5.44218
26 3FRK TQP 0.03659 0.40323 5.63003
27 2P53 NNG 0.01874 0.40441 5.75916
28 1QHG ATP 0.007868 0.41742 5.78231
29 5IXJ THR 0.003924 0.45256 5.80808
30 4AKB GAL 0.01444 0.4029 6.01504
31 1ZEA DVA DPR GLY DSN DGN DHI DTY DAS DSN 0.006136 0.41822 6.01852
32 1VP5 NAP 0.0321 0.40266 6.04027
33 5GT9 NAP 0.02488 0.41205 6.46388
34 2GZM DGL 0.01254 0.40084 6.74157
35 1G8K MGD 0.02951 0.41443 6.76692
36 3AB3 GDP 0.01934 0.40372 6.90608
37 1AE1 NAP 0.03167 0.40874 6.95971
38 1D6S PLP MET 0.02247 0.40368 8.07453
39 5G5G FAD 0.0479 0.40662 8.29694
40 1S7G APR 0.03853 0.40422 8.69565
41 1V7C HEY 0.01652 0.41764 9.11681
42 3W8X FAD 0.02285 0.42665 9.18803
43 5A89 FMN 0.04678 0.40718 11.5385
44 5A89 ADP 0.04678 0.40718 11.5385
45 2NUO BGC 0.00234 0.43523 13.9344
46 1KPH 10A 0.01147 0.41328 14.6341
47 2DYR PGV 0.04249 0.40496 20.339
48 1NNS ASP 0.00002933 0.56417 28.5276
49 2JK0 ASP 0.000000001609 0.65297 30.7692
50 5F52 ASP 0.00000001208 0.44555 30.7927
51 4LNU GTP 0.03349 0.40043 47.3373
Pocket No.: 7; Query (leader) PDB : 5DNC; Ligand: ASN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 5dnc.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 5DNC; Ligand: ASN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 5dnc.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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