Receptor
PDB id Resolution Class Description Source Keywords
4R8L 2.41 Å EC: 3.5.1.1 CRYSTAL STRUCTURE OF THE ASP-BOUND GUINEA PIG L-ASPARAGINASE CATALYTIC DOMAIN CAVIA PORCELLUS L-ASPARAGINASE HYDROLASE
Ref.: IDENTIFICATION AND STRUCTURAL ANALYSIS OF AN L-ASPA ENZYME FROM GUINEA PIG WITH PUTATIVE TUMOR CELL KIL PROPERTIES. J.BIOL.CHEM. V. 289 33175 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ASP C:700;
D:700;
A:700;
B:700;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
133.103 C4 H7 N O4 C([C@...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4R8L 2.41 Å EC: 3.5.1.1 CRYSTAL STRUCTURE OF THE ASP-BOUND GUINEA PIG L-ASPARAGINASE CATALYTIC DOMAIN CAVIA PORCELLUS L-ASPARAGINASE HYDROLASE
Ref.: IDENTIFICATION AND STRUCTURAL ANALYSIS OF AN L-ASPA ENZYME FROM GUINEA PIG WITH PUTATIVE TUMOR CELL KIL PROPERTIES. J.BIOL.CHEM. V. 289 33175 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 4R8L - ASP C4 H7 N O4 C([C@@H](C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 4R8L - ASP C4 H7 N O4 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: 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 : 4R8L; 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: 4r8l.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4R8L; Ligand: ASP; Similar sites found: 25
This union binding pocket(no: 2) in the query (biounit: 4r8l.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2Z48 NGA 0.01398 0.40342 1.81818
2 2DWU DGL 0.01116 0.40077 2.17391
3 1VB3 KPA 0.008264 0.41177 2.33766
4 1VMK GUN 0.01478 0.40095 2.52708
5 5B19 TLA 0.0106 0.40183 2.58621
6 2C42 TPP 0.01575 0.42124 2.85714
7 2C42 PYR 0.01575 0.42124 2.85714
8 5MY8 RXZ 0.01265 0.4194 3.13316
9 1GQ2 OXL 0.01624 0.40023 3.37662
10 3VY6 BGC BGC 0.004364 0.40748 3.5461
11 1ZUW DGL 0.009614 0.40386 3.67647
12 5GT9 NAP 0.02696 0.41022 3.80228
13 2AE2 PTO 0.02558 0.42055 3.84615
14 2AE2 NAP 0.02558 0.42055 3.84615
15 5CDH TLA 0.003539 0.42492 4.16667
16 4Y0X ADP 0.01232 0.40577 5.33333
17 4OWK NGA 0.01333 0.41261 5.7971
18 5IXJ THR 0.005287 0.44586 5.97403
19 3II1 BGC 0.007358 0.4047 6.23377
20 1M26 GAL A2G 0.0146 0.40835 7.5188
21 5L3S GNP 0.02261 0.40507 7.77027
22 1JXN MFU 0.009887 0.41119 8.67769
23 2WZF BGC 0.01414 0.40199 8.83117
24 5AHW CMP 0.006292 0.42425 8.84354
25 2NUO BGC 0.005397 0.41037 13.9344
Pocket No.: 3; Query (leader) PDB : 4R8L; 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: 4r8l.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4R8L; 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: 4r8l.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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