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Receptor
PDB id Resolution Class Description Source Keywords
2WLT 1.4 Å EC: 3.5.1.1 THE CRYSTAL STRUCTURE OF HELICOBACTER PYLORI L-ASPARAGINASE AT 1.4 A RESOLUTION HELICOBACTER PYLORI HYDROLASE
Ref.: STRUCTURE OF HELICOBACTER PYLORI L-ASPARAGINASE AT 1.4 A RESOLUTION ACTA CRYSTALLOGR.,SECT.D V. 65 1253 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ASP A:1333;
Valid;
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
2WLT 1.4 Å EC: 3.5.1.1 THE CRYSTAL STRUCTURE OF HELICOBACTER PYLORI L-ASPARAGINASE AT 1.4 A RESOLUTION HELICOBACTER PYLORI HYDROLASE
Ref.: STRUCTURE OF HELICOBACTER PYLORI L-ASPARAGINASE AT 1.4 A RESOLUTION ACTA CRYSTALLOGR.,SECT.D V. 65 1253 2009
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 2WLT - ASP C4 H7 N O4 C([C@@H](C....
2 2WT4 - 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 7 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 5MQ5 - 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 (16)
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 C(CC(=O)O)....
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 5MQ5 - ASP C4 H7 N O4 C([C@@H](C....
15 3ECA - ASP C4 H7 N O4 C([C@@H](C....
16 1NNS - 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 DAS 1 1
2 ASP 1 1
3 ASN 0.636364 0.793103
4 DSN 0.545455 0.714286
5 ABA 0.545455 0.692308
6 2RA 0.545455 0.689655
7 SER 0.545455 0.714286
8 DBB 0.545455 0.692308
9 CYS 0.521739 0.703704
10 C2N 0.521739 0.666667
11 DCY 0.521739 0.703704
12 SD4 0.5 0.648649
13 GGL 0.481481 0.846154
14 DGL 0.481481 0.846154
15 GLU 0.481481 0.846154
16 DAB 0.48 0.612903
17 HSE 0.48 0.758621
18 NVA 0.461538 0.62069
19 HCS 0.461538 0.655172
20 CSO 0.461538 0.6875
21 AS2 0.461538 0.916667
22 LEU 0.461538 0.642857
23 API 0.461538 0.75
24 CSD 0.444444 0.615385
25 CSS 0.444444 0.633333
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 : 2WLT; Ligand: ASP; Similar sites found with APoc: 51
This union binding pocket(no: 1) in the query (biounit: 2wlt.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 5NMX FAD 1.20482
2 2C6Q NDP 1.50602
3 3UH0 TSB 2.10843
4 2J0W ASP 2.10843
5 1HSK FAD 2.14724
6 2OQ2 A3P 2.29885
7 5E4R NAP 2.40964
8 6FP4 E1T 2.84281
9 2BQP GLC 3.4188
10 5YLF BGC 3.61446
11 5W3K NDP 3.61446
12 5W3K 9TY 3.61446
13 2O07 MTA 3.61842
14 2O07 SPD 3.61842
15 3K3G MMU 3.91566
16 1EBF NAD 3.91566
17 6HKE LMR 4.08805
18 6HKE MLT 4.08805
19 6F5W KG1 4.21687
20 1OFS SUC 4.27807
21 4YRY NAD 4.81928
22 4KQW NAP 5.42169
23 4ZOH FAD 5.72289
24 5KJW 53C 6.3253
25 5XNC N4P 6.3253
26 2GN3 MMA 6.34921
27 2GNB MAN 6.34921
28 2GN3 MAN 6.34921
29 2GMM MAN MAN 6.34921
30 1UKG MMA 6.34921
31 1Q8V MAN MAN 6.34921
32 2GNM MAN 6.34921
33 2PHT MAN MAN MAN 6.34921
34 2GND MAN 6.34921
35 3VY6 BGC BGC 6.38298
36 4XFR CIT 7.02576
37 2UUU FAD 7.22892
38 4JB1 FAD 7.35294
39 4JB1 NAP 7.35294
40 2PT9 2MH 7.47664
41 3R51 MMA 8.125
42 2VAP GDP 8.13253
43 4HWS 1B3 8.73494
44 2NU5 NAG 9.83607
45 2NUO BGC 9.83607
46 2GUC MAN 9.83607
47 2HYR BGC GLC 9.83607
48 2HYQ MAN MAN 9.83607
49 2GUD MAN 9.83607
50 2P3V SRT 10.5469
51 5DNC ASN 31.6265
Pocket No.: 2; Query (leader) PDB : 2WLT; Ligand: ASP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2wlt.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2WLT; Ligand: ASP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2wlt.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2WLT; Ligand: ASP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2wlt.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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