Receptor
PDB id Resolution Class Description Source Keywords
4PVR 1.75 Å EC: 3.5.1.1 CRYSTAL STRUCTURE OF PARTIALLY-CLEAVED HUMAN L-ASPARAGINASE COMPLEX WITH L-ASPARTATE HOMO SAPIENS NTN ENZYME HOMODIMER HYDROLASE L-ASPARAGINE
Ref.: STRUCTURES OF APO AND PRODUCT-BOUND HUMAN L-ASPARAG INSIGHTS INTO THE MECHANISM OF AUTOPROTEOLYSIS AND HYDROLYSIS. BIOCHEMISTRY V. 51 6816 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NA B:401;
A:401;
Part of Protein;
Part of Protein;
none;
none;
submit data
22.99 Na [Na+]
ASP A:402;
B:402;
Valid;
Valid;
none;
none;
submit data
133.103 C4 H7 N O4 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4PVR 1.75 Å EC: 3.5.1.1 CRYSTAL STRUCTURE OF PARTIALLY-CLEAVED HUMAN L-ASPARAGINASE COMPLEX WITH L-ASPARTATE HOMO SAPIENS NTN ENZYME HOMODIMER HYDROLASE L-ASPARAGINE
Ref.: STRUCTURES OF APO AND PRODUCT-BOUND HUMAN L-ASPARAG INSIGHTS INTO THE MECHANISM OF AUTOPROTEOLYSIS AND HYDROLYSIS. BIOCHEMISTRY V. 51 6816 2012
Members (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 4OSY - GLY C2 H5 N O2 C(C(=O)O)N
2 4PVS - ASP C4 H7 N O4 C([C@@H](C....
3 4OSX - GLY C2 H5 N O2 C(C(=O)O)N
4 4PVR - ASP C4 H7 N O4 C([C@@H](C....
5 4O0F - GLY C2 H5 N O2 C(C(=O)O)N
6 4O0D - GLY C2 H5 N O2 C(C(=O)O)N
7 4PVP - MLI C3 H2 O4 C(C(=O)[O-....
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 4OSY - GLY C2 H5 N O2 C(C(=O)O)N
2 4PVS - ASP C4 H7 N O4 C([C@@H](C....
3 4OSX - GLY C2 H5 N O2 C(C(=O)O)N
4 4PVR - ASP C4 H7 N O4 C([C@@H](C....
5 4O0F - GLY C2 H5 N O2 C(C(=O)O)N
6 4O0D - GLY C2 H5 N O2 C(C(=O)O)N
7 4PVP - MLI C3 H2 O4 C(C(=O)[O-....
8 4O48 - ASP C4 H7 N O4 C([C@@H](C....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4OSY - GLY C2 H5 N O2 C(C(=O)O)N
2 4PVS - ASP C4 H7 N O4 C([C@@H](C....
3 4OSX - GLY C2 H5 N O2 C(C(=O)O)N
4 4PVR - ASP C4 H7 N O4 C([C@@H](C....
5 4O0F - GLY C2 H5 N O2 C(C(=O)O)N
6 4O0D - GLY C2 H5 N O2 C(C(=O)O)N
7 4PVP - MLI C3 H2 O4 C(C(=O)[O-....
8 4O48 - ASP C4 H7 N O4 C([C@@H](C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ASP; Similar ligands found: 32
No: Ligand ECFP6 Tc MDL keys Tc
1 ASP 1 1
2 DAS 1 1
3 ASN 0.636364 0.793103
4 SER 0.545455 0.714286
5 DBB 0.545455 0.692308
6 2RA 0.545455 0.689655
7 ABA 0.545455 0.692308
8 DSN 0.545455 0.714286
9 DCY 0.521739 0.703704
10 CYS 0.521739 0.703704
11 C2N 0.521739 0.666667
12 SD4 0.5 0.648649
13 DGL 0.481481 0.846154
14 GLU 0.481481 0.846154
15 GGL 0.481481 0.846154
16 DAB 0.48 0.612903
17 HSE 0.48 0.758621
18 LEU 0.461538 0.642857
19 AS2 0.461538 0.916667
20 HCS 0.461538 0.655172
21 CSO 0.461538 0.6875
22 NVA 0.461538 0.62069
23 API 0.461538 0.75
24 CSS 0.444444 0.633333
25 CSD 0.444444 0.615385
26 11C 0.433333 0.814815
27 UN1 0.433333 0.814815
28 GLN 0.428571 0.7
29 DGN 0.428571 0.7
30 NPI 0.40625 0.785714
31 NCD 0.4 0.705882
32 ONL 0.4 0.7
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4PVR; Ligand: ASP; Similar sites found: 23
This union binding pocket(no: 1) in the query (biounit: 4pvr.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2Z9I GLY ALA THR VAL 0.02129 0.402 1.6129
2 3LAD FAD 0.02386 0.4066 1.93548
3 1HQL GLA MBG 0.01434 0.41501 1.94553
4 5LUB 3Y7 0.01831 0.40387 2.29008
5 1FEC FAD 0.02222 0.41141 2.58065
6 1IXI 2HP 0.02227 0.40372 2.90323
7 2OBM ADP 0.02254 0.40285 2.90323
8 4ZVF GAV 0.01022 0.40541 2.90698
9 4ISS TAR 0.01638 0.41192 3.22581
10 1EDO NAP 0.01603 0.40491 3.27869
11 5KBE IPH 0.0172 0.40702 3.49345
12 4CNK FAD 0.009765 0.42445 3.54839
13 2YGM GLA NAG GAL FUC 0.001682 0.45246 3.87097
14 1Q8Q MAN MMA 0.01058 0.42148 4.7619
15 1Q8S MAN MMA 0.01327 0.41634 4.7619
16 2GND MAN 0.014 0.41478 4.7619
17 4D1J DGJ 0.01696 0.40701 4.83871
18 3AI3 SOE 0.01873 0.40514 4.94297
19 4YMX ARG 0.007665 0.41551 5
20 1RL4 BRR 0.0133 0.4127 7.44681
21 5N9X THR 0.01271 0.40764 7.74194
22 2F5Z FAD 0.03126 0.40173 7.8125
23 1APZ ASP 0.0000000001018 0.8225 42.5532
Pocket No.: 2; Query (leader) PDB : 4PVR; 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: 4pvr.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Feedback