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 = 85 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 = 85 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 = 85 uM HBU C5 H9 O5 P C[P@](=O)(....
Polypharmacology
Similar Ligands
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 Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2HZY; Ligand: DHJ; Similar sites found: 15
This union binding pocket(no: 1) in the query (biounit: 2hzy.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5GVL PLG 0.007166 0.42895 1.42518
2 5GVL GI8 0.007166 0.42895 1.42518
3 2ZRU FMN 0.01203 0.41518 1.90217
4 4XF6 ADP 0.005028 0.4331 3.2967
5 4XF6 LIP 0.004938 0.4312 3.2967
6 4XF6 INS 0.004938 0.4312 3.2967
7 1B7H LYS NLE LYS 0.0158 0.40635 4.038
8 2XMY CDK 0.03264 0.41204 4.36242
9 2R4V GSH 0.02475 0.40313 4.45344
10 5D2H AKG 0.001278 0.42816 6.00707
11 3VZS NAP 0.02443 0.40778 8.17121
12 3VZS CAA 0.04413 0.40711 8.17121
13 2EB5 OXL 0.0002623 0.40386 13.8577
14 2Q1A 2KT 0.0000106 0.44325 16.7235
15 4DBH OXL 0.00000555 0.47239 31.25
Pocket No.: 2; Query (leader) PDB : 2HZY; Ligand: DHJ; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
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