Receptor
PDB id Resolution Class Description Source Keywords
2HZY 1.35 Å EC: 3.7.1.2 MOUSE FUMARYLACETOACETATE HYDROLASE COMPLEXES WITH A TRANSITION-STATE MIMIC OF THE COMPLETE SUBSTRATE MUS MUSCULUS TRANSITION-STATE MIMICKING COMPLEX HYDROLASE
Ref.: SLOW-ONSET INHIBITION OF FUMARYLACETOACETATE HYDROLASE BY PHOSPHINATE MIMICS OF THE TETRAHEDRAL INTERMEDIATE: KINETICS, CRYSTAL STRUCTURE AND PHARMACOKINETICS. BIOCHEM.J. V. 402 251 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:1206;
 Part of Protein;
 none;
 submit data
40.078 Ca [Ca+2...
DHJ A:1102;
B:1101;
 Valid;
Valid;
 none;
none;
 Ki = 41 nM
238.132 C7 H11 O7 P C(C[P...
MN A:1203;
B:1204;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
54.938 Mn [Mn+2...
NA A:1201;
B:1202;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
22.99 Na [Na+]
NI A:1209;
A:1211;
A:1212;
A:1213;
A:1214;
B:1205;
B:1207;
B:1208;
B:1210;
B:1215;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
58.693 Ni [Ni+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2HZY 1.35 Å EC: 3.7.1.2 MOUSE FUMARYLACETOACETATE HYDROLASE COMPLEXES WITH A TRANSITION-STATE MIMIC OF THE COMPLETE SUBSTRATE MUS MUSCULUS TRANSITION-STATE MIMICKING COMPLEX HYDROLASE
Ref.: SLOW-ONSET INHIBITION OF FUMARYLACETOACETATE HYDROLASE BY PHOSPHINATE MIMICS OF THE TETRAHEDRAL INTERMEDIATE: KINETICS, CRYSTAL STRUCTURE AND PHARMACOKINETICS. BIOCHEM.J. V. 402 251 2007
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2HZY Ki = 41 nM DHJ C7 H11 O7 P C(C[P@](=O....
2 1QCO - FUM C4 H4 O4 C(=C/C(=O)....
3 1HYO Ki = 84.8 uM HBU C5 H9 O5 P C[P@](=O)(....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2HZY Ki = 41 nM DHJ C7 H11 O7 P C(C[P@](=O....
2 1QCO - FUM C4 H4 O4 C(=C/C(=O)....
3 1HYO Ki = 84.8 uM HBU C5 H9 O5 P C[P@](=O)(....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2HZY Ki = 41 nM DHJ C7 H11 O7 P C(C[P@](=O....
2 1QCO - FUM C4 H4 O4 C(=C/C(=O)....
3 1HYO Ki = 84.8 uM HBU C5 H9 O5 P C[P@](=O)(....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: DHJ; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 DHJ 1 1
2 HBU 0.5 0.771429
3 3PP 0.411765 0.705882
Similar Ligands (3D)
Ligand no: 1; Ligand: DHJ; Similar ligands found: 13
No: Ligand Similarity coefficient
1 ALA GLN 0.8937
2 6FR 0.8783
3 ALA GLU 0.8782
4 9OD 0.8776
5 BGT 0.8722
6 GGG 0.8697
7 LG6 0.8684
8 ASF 0.8680
9 REG 0.8661
10 M1C 0.8647
11 DXJ 0.8638
12 6PG 0.8584
13 SAZ 0.8521
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2HZY; Ligand: DHJ; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2hzy.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2HZY; Ligand: DHJ; 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: 2hzy.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
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