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Receptor
PDB id Resolution Class Description Source Keywords
1YBQ 2 Å EC: 3.4.19.- CRYSTAL STRUCTURE OF ESCHERICHIA COLI ISOASPARTYL DIPEPTIDAS D285N COMPLEXED WITH BETA-ASPARTYLHISTIDINE ESCHERICHIA COLI HYDROLASE DIPEPTIDASE
Ref.: MECHANISM OF THE REACTION CATALYZED BY ISOASPARTYL DIPEPTIDASE FROM ESCHERICHIA COLI. BIOCHEMISTRY V. 44 7115 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BDH A:393;
B:393;
Valid;
Valid;
none;
none;
submit data
270.242 C10 H14 N4 O5 c1c([...
ZN A:391;
A:392;
B:391;
B:392;
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
1YBQ 2 Å EC: 3.4.19.- CRYSTAL STRUCTURE OF ESCHERICHIA COLI ISOASPARTYL DIPEPTIDAS D285N COMPLEXED WITH BETA-ASPARTYLHISTIDINE ESCHERICHIA COLI HYDROLASE DIPEPTIDASE
Ref.: MECHANISM OF THE REACTION CATALYZED BY ISOASPARTYL DIPEPTIDASE FROM ESCHERICHIA COLI. BIOCHEMISTRY V. 44 7115 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1YBQ - BDH C10 H14 N4 O5 c1c([nH]cn....
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 1YBQ - BDH C10 H14 N4 O5 c1c([nH]cn....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1YBQ - BDH C10 H14 N4 O5 c1c([nH]cn....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BDH; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 BDH 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1YBQ; Ligand: BDH; Similar sites found with APoc: 49
This union binding pocket(no: 1) in the query (biounit: 1ybq.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 4C3Y ANB 1.28205
2 1WPQ 13P 1.43266
3 2YIP YIO 1.44928
4 5X8G S0N 1.53846
5 5DEY 59T 2.0202
6 1KYA XYD 2.05128
7 5XWV 8H6 2.30769
8 5XWV NDP 2.30769
9 4HPP GLU 2.30769
10 5T63 ALA ALA ALA ALA 2.45232
11 2WSB NAD 2.75591
12 4PVV HO4 2.77778
13 4CIB 7UZ 3.07692
14 3VZS NAP 3.11284
15 5YSQ INS 3.14685
16 2WEL K88 3.33333
17 2RGO FAD 3.33333
18 2ZXI FAD 3.61068
19 2JK0 ASP 3.69231
20 3C3N FMN 3.84615
21 1OVD FMN 3.85852
22 1OVD ORO 3.85852
23 4LI4 AMP 4.41176
24 5XFV FMN 4.49102
25 3B99 U51 4.87179
26 6CI9 NAP 5.01931
27 2HK1 FUD 5.17799
28 5KOD IAC 5.38462
29 3URB DPF 5.50459
30 4P5Z Q7M 5.81717
31 4YHB FAD 5.86081
32 5B4T NAD 6.15385
33 5B4T 3HR 6.15385
34 1WMA AB3 6.15942
35 1WMA NDP 6.15942
36 5HK9 64O 6.97674
37 1B4B ARG 7.04225
38 2Z49 AMG 7.17949
39 6EJI UD2 7.23861
40 5TCI MLI 7.6087
41 5AE2 FAD 7.94872
42 5AE2 FYC 7.94872
43 5JCA FAD 8.80282
44 6F5W KG1 10.0271
45 2QX0 PH2 12.5786
46 2H5Z CTO 13.1148
47 3ORF NAD 13.5458
48 5OJI NAP 13.8462
49 2Z9I GLY ALA THR VAL 17.284
Pocket No.: 2; Query (leader) PDB : 1YBQ; Ligand: BDH; 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: 1ybq.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1YBQ; Ligand: BDH; 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: 1ybq.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1YBQ; Ligand: BDH; 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: 1ybq.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1YBQ; Ligand: BDH; Similar sites found with APoc: 18
This union binding pocket(no: 5) in the query (biounit: 1ybq.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 2GRU EXO 1.90217
2 5Y4K AKR 2.05128
3 2WBV SIA 2.6455
4 2CFC KPC 2.8
5 2F5X ASP 3.20513
6 5FQ0 FLC 4.38596
7 5V2J UDP 5.64103
8 5V2J 7WV 5.64103
9 3VC1 SAH 6.08974
10 3ZLQ 6T9 6.47668
11 3E3U NVC 6.59898
12 2HBL AMP 7.69231
13 3KPB SAM 8.19672
14 5JCA NDP 8.80282
15 4ZCC NAI 10.4167
16 4ZCC FAD 10.4167
17 6AZQ C5J 10.687
18 6FTB M0E 12.8571
Pocket No.: 6; Query (leader) PDB : 1YBQ; Ligand: BDH; 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: 1ybq.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1YBQ; Ligand: BDH; 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: 1ybq.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1YBQ; Ligand: BDH; 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: 1ybq.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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