Receptor
PDB id Resolution Class Description Source Keywords
5K45 1.63 Å EC: 3.5.1.1 WOLINELLA SUCCINOGENES L-ASPARAGINASE P121 + L-GLUTAMIC ACID WOLINELLA SUCCINOGENES (STRAIN ATCC 291740 / LMG 7466 / NCTC 11488 / FDC 602W) L-ASPARAGINASE P121 L-GLUTAMIC ACID HYDROLASE
Ref.: THE DIFFERENTIAL ABILITY OF ASPARAGINE AND GLUTAMIN PROMOTING THE CLOSED/ACTIVE ENZYME CONFORMATION RAT THE WOLINELLA SUCCINOGENES L-ASPARAGINASE SUBSTRATE SPECIFICITY. SCI REP V. 7 41643 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLU A:400;
D:400;
B:400;
C:400;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
147.129 C5 H9 N O4 C(CC(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5K4G 1.6 Å EC: 3.5.1.1 WOLINELLA SUCCINOGENES L-ASPARAGINASE S121 + L-ASPARTIC ACID CONFORMATION WOLINELLA SUCCINOGENES (STRAIN ATCC 291740 / LMG 7466 / NCTC 11488 / FDC 602W) S121 L-ASPARTIC ACID OPEN CONFORMATION HYDROLASE
Ref.: THE DIFFERENTIAL ABILITY OF ASPARAGINE AND GLUTAMIN PROMOTING THE CLOSED/ACTIVE ENZYME CONFORMATION RAT THE WOLINELLA SUCCINOGENES L-ASPARAGINASE SUBSTRATE SPECIFICITY. SCI REP V. 7 41643 2017
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 5K3O - ASP C4 H7 N O4 C([C@@H](C....
2 5K4H - GLU C5 H9 N O4 C(CC(=O)O)....
3 5K45 - GLU C5 H9 N O4 C(CC(=O)O)....
4 5K4G - ASP C4 H7 N O4 C([C@@H](C....
70% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 5K3O - ASP C4 H7 N O4 C([C@@H](C....
2 5K4H - GLU C5 H9 N O4 C(CC(=O)O)....
3 5K45 - GLU C5 H9 N O4 C(CC(=O)O)....
4 5K4G - ASP C4 H7 N O4 C([C@@H](C....
5 2WLT - ASP C4 H7 N O4 C([C@@H](C....
6 2WT4 - ASP C4 H7 N O4 C([C@@H](C....
7 1HO3 - ASP C4 H7 N O4 C([C@@H](C....
8 3ECA - ASP C4 H7 N O4 C([C@@H](C....
9 1NNS - ASP C4 H7 N O4 C([C@@H](C....
50% Homology Family (15)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1HG0 - SIN C4 H6 O4 O=C([O-])C....
2 1HFW - GLU C5 H9 N O4 C(CC(=O)O)....
3 5F52 - ASP C4 H7 N O4 C([C@@H](C....
4 5HW0 - GLU C5 H9 N O4 C(CC(=O)O)....
5 1HG1 - DAS C4 H7 N O4 C([C@H](C(....
6 5K3O - ASP C4 H7 N O4 C([C@@H](C....
7 5K4H - GLU C5 H9 N O4 C(CC(=O)O)....
8 5K45 - GLU C5 H9 N O4 C(CC(=O)O)....
9 5K4G - ASP C4 H7 N O4 C([C@@H](C....
10 2WLT - ASP C4 H7 N O4 C([C@@H](C....
11 2WT4 - ASP C4 H7 N O4 C([C@@H](C....
12 2JK0 - ASP C4 H7 N O4 C([C@@H](C....
13 1HO3 - ASP C4 H7 N O4 C([C@@H](C....
14 3ECA - ASP C4 H7 N O4 C([C@@H](C....
15 1NNS - ASP C4 H7 N O4 C([C@@H](C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLU; Similar ligands found: 53
No: Ligand ECFP6 Tc MDL keys Tc
1 GLU 1 1
2 DGL 1 1
3 GGL 1 1
4 GLN 0.62963 0.821429
5 DGN 0.62963 0.821429
6 ONL 0.586207 0.821429
7 UN1 0.566667 0.96
8 11C 0.566667 0.96
9 HCS 0.555556 0.714286
10 HGA 0.53125 0.666667
11 NPI 0.53125 0.923077
12 HSE 0.518519 0.758621
13 DAB 0.518519 0.666667
14 MEQ 0.515152 0.71875
15 3O3 0.513514 0.727273
16 API 0.5 0.884615
17 NVA 0.5 0.740741
18 ASP 0.481481 0.846154
19 DAS 0.481481 0.846154
20 TNA 0.463415 0.685714
21 ABA 0.461538 0.692308
22 DSN 0.461538 0.655172
23 DBB 0.461538 0.692308
24 SER 0.461538 0.655172
25 RGP 0.459459 0.648649
26 ORN 0.451613 0.689655
27 HOZ 0.451613 0.666667
28 AE5 0.447368 0.727273
29 DCY 0.444444 0.642857
30 CYS 0.444444 0.642857
31 C2N 0.444444 0.666667
32 NLE 0.4375 0.689655
33 S2G 0.433333 0.653846
34 2HG 0.433333 0.653846
35 ASN 0.428571 0.677419
36 26P 0.428571 0.857143
37 3GC 0.425 0.705882
38 MET 0.424242 0.625
39 MSE 0.424242 0.606061
40 DLY 0.424242 0.666667
41 MED 0.424242 0.625
42 BIX 0.418605 0.631579
43 MF3 0.416667 0.625
44 CBH 0.414634 0.774194
45 LYS 0.411765 0.645161
46 DHH 0.411765 0.851852
47 SHR 0.409091 0.774194
48 2NP 0.405405 0.71875
49 LEU 0.4 0.642857
50 5OY 0.4 0.648649
51 AS2 0.4 0.84
52 2JJ 0.4 0.648649
53 ONH 0.4 0.611111
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5K4G; Ligand: ASP; 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: 5k4g.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5K4G; Ligand: ASP; 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: 5k4g.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5K4G; Ligand: ASP; 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: 5k4g.bio2) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5K4G; Ligand: ASP; 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: 5k4g.bio2) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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