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Receptor
PDB id Resolution Class Description Source Keywords
1ONX 2.1 Å EC: 3.4.19.- CRYSTAL STRUCTURE OF ISOASPARTYL DIPEPTIDASE FROM ESCHERICHI COMPLEXED WITH ASPARTATE ESCHERICHIA COLI AMIDOHYDROLASE HYDROLASE METALLOPROTEASE
Ref.: HIGH RESOLUTION X-RAY STRUCTURE OF ISOASPARTYL DIPE FROM ESCHERICHIA COLI BIOCHEMISTRY V. 42 4874 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ASP A:450;
B:550;
Valid;
Valid;
none;
none;
submit data
133.103 C4 H7 N O4 C([C@...
ZN A:401;
A:402;
B:501;
B:502;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1ONX 2.1 Å EC: 3.4.19.- CRYSTAL STRUCTURE OF ISOASPARTYL DIPEPTIDASE FROM ESCHERICHI COMPLEXED WITH ASPARTATE ESCHERICHIA COLI AMIDOHYDROLASE HYDROLASE METALLOPROTEASE
Ref.: HIGH RESOLUTION X-RAY STRUCTURE OF ISOASPARTYL DIPE FROM ESCHERICHIA COLI BIOCHEMISTRY V. 42 4874 2003
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1ONX - 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 3 families.
1 1ONX - ASP C4 H7 N O4 C([C@@H](C....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1ONX - ASP C4 H7 N O4 C([C@@H](C....
2 5XGX - DAS DLY n/a n/a
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 : 1ONX; Ligand: ASP; Similar sites found with APoc: 69
This union binding pocket(no: 1) in the query (biounit: 1onx.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 3MJY FMN 0.867052
2 3MJY IJZ 0.867052
3 3VP6 HLD 1.79487
4 4PNE SAH 1.98676
5 5N6C NAD 2
6 2DPM SAM 2.11268
7 5HSA FAS 2.30769
8 3OIX FMN 2.31884
9 3MN7 ATP 2.40642
10 1M5W DXP 2.46914
11 5MW4 5JU 2.69461
12 4Q4K FMN 2.80112
13 2PT9 2MH 2.80374
14 2PT9 S4M 2.80374
15 4AOA IK2 2.82051
16 1V47 ADX 2.86533
17 5K8B PDG 3.07692
18 3GGO NAI 3.18471
19 1EQ2 NAP 3.22581
20 2Y88 2ER 3.27869
21 2RGO FAD 3.33333
22 4AQL TXC 3.33333
23 3H78 BE2 3.34262
24 5U5G NAP 3.38983
25 2X61 NGA GAL SIA 3.48837
26 2VAR KDF 3.51438
27 2VAR KDG 3.51438
28 1GSA ADP 3.79747
29 3C3N FMN 3.84615
30 4ZLU ADP 3.84615
31 4ZLU 4PW 3.84615
32 1OVD ORO 3.85852
33 1OVD FMN 3.85852
34 5O4J SAH 4.10256
35 5O4J 9KH 4.10256
36 4RDZ MYR 4.11392
37 5FQ0 FLC 4.38596
38 1JQ3 AAT 5.06757
39 1TUF AZ1 5.12821
40 5T9F NAP 5.16605
41 3OVR 5SP 5.26316
42 3CIP ATP 5.46875
43 3URB DPF 5.50459
44 3SJH ATP 5.55556
45 1H5Q NAP 5.66038
46 1TI7 NAP 5.68182
47 3WQT ANP 5.89744
48 1MFD GLA MMA ABE 5.93607
49 3RET SAL 5.94059
50 3RET PYR 5.94059
51 1EE0 CAA 6.66667
52 3QUZ QUV 7.07071
53 4CZG QH3 7.18391
54 4CZG ADP 7.18391
55 4JNE ATP 7.4359
56 5TCI MLI 7.6087
57 5ETR 5RW 8.69565
58 5ETR APC 8.69565
59 5EXW 7DT 8.71795
60 6F5W KG1 10.0271
61 4MDH NAD 10.1796
62 3E8N VRA 10.8504
63 3E8N ATP 10.8504
64 1NJF AGS 12.4
65 3CTL S6P 13.4199
66 5XM3 PQQ 16.6667
67 1OJ4 CDM 17.6678
68 2F5Z FAD 23.4375
69 5EIB GTP 26.087
Pocket No.: 2; Query (leader) PDB : 1ONX; 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: 1onx.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1ONX; 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: 1onx.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1ONX; 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: 1onx.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1ONX; Ligand: ASP; Similar sites found with APoc: 24
This union binding pocket(no: 5) in the query (biounit: 1onx.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 5X20 NAD 1.92308
2 3WGT QSC 2.30548
3 5KMS FAD 2.30769
4 3RYC GTP 2.30769
5 2I7C AAT 2.4735
6 6DAM PQQ 2.5641
7 4PVV HO4 2.77778
8 3NUB UD0 2.78552
9 2X6T NAP 2.80112
10 1SFF IK2 3.07692
11 5YSQ INS 3.14685
12 3HBN UDP 3.5461
13 2RFZ CTR 3.84615
14 2IHU TP9 4.10256
15 5G09 6DF 4.61538
16 2PBD ATP 5.7554
17 4LO2 GAL BGC 6.75676
18 4OUJ LBT 7.16612
19 6F97 FAD 7.4359
20 1YKJ PHB 7.4359
21 1YKJ FAD 7.4359
22 5LY3 ADP 9.48718
23 4A2B AGS 13.3333
24 4LNU GTP 18.3432
Pocket No.: 6; Query (leader) PDB : 1ONX; 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: 6) in the query (biounit: 1onx.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1ONX; 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: 7) in the query (biounit: 1onx.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1ONX; 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: 8) in the query (biounit: 1onx.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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