Receptor
PDB id Resolution Class Description Source Keywords
4PXE 1.45 Å EC: 3.5.3.19 THE CRYSTAL STRUCTURE OF ATUAH IN COMPLEX WITH GLYOXYLATE ARABIDOPSIS THALIANA AMIDASE HYDANTOINASE CARBARMOYLASE HYDROLASE
Ref.: STRUCTURAL INSIGHTS INTO THE SUBSTRATE SPECIFICITY (S)-UREIDOGLYCOLATE AMIDOHYDROLASE AND ITS COMPARIS ALLANTOATE AMIDOHYDROLASE J.MOL.BIOL. 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MN A:501;
B:502;
A:502;
B:501;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
54.938 Mn [Mn+2...
GLV A:503;
B:503;
Valid;
Valid;
none;
none;
submit data
74.035 C2 H2 O3 C(=O)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4PXE 1.45 Å EC: 3.5.3.19 THE CRYSTAL STRUCTURE OF ATUAH IN COMPLEX WITH GLYOXYLATE ARABIDOPSIS THALIANA AMIDASE HYDANTOINASE CARBARMOYLASE HYDROLASE
Ref.: STRUCTURAL INSIGHTS INTO THE SUBSTRATE SPECIFICITY (S)-UREIDOGLYCOLATE AMIDOHYDROLASE AND ITS COMPARIS ALLANTOATE AMIDOHYDROLASE J.MOL.BIOL. 2014
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4PXE - GLV C2 H2 O3 C(=O)C(=O)....
2 4PXC - HGY C2 H5 N O3 [C@H](C(=O....
3 4PXB - UGC C3 H6 N2 O4 [C@H](C(=O....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4PXE - GLV C2 H2 O3 C(=O)C(=O)....
2 4PXC - HGY C2 H5 N O3 [C@H](C(=O....
3 4PXB - UGC C3 H6 N2 O4 [C@H](C(=O....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4PXE - GLV C2 H2 O3 C(=O)C(=O)....
2 4PXC - HGY C2 H5 N O3 [C@H](C(=O....
3 4PXB - UGC C3 H6 N2 O4 [C@H](C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLV; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 GLV 1 1
2 FUM 0.5 0.666667
3 MAE 0.5 0.666667
4 OXD 0.416667 0.75
5 CCU 0.411765 0.666667
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4PXE; Ligand: GLV; Similar sites found: 24
This union binding pocket(no: 1) in the query (biounit: 4pxe.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3KDU NKS 0.04226 0.40881 1.44404
2 1J0D 5PA 0.02677 0.40765 1.46628
3 4RGQ 1GP 0.03769 0.40705 1.90217
4 3OTI C0T 0.02996 0.40507 2.51256
5 4F9U PBD 0.008739 0.41219 2.88462
6 2ZOF BES 0.000009262 0.43938 3.02326
7 2VUT NAD 0.006112 0.43909 3.40909
8 4DYO SD4 0.004143 0.42565 3.48837
9 1PKX XMP 0.02985 0.40437 3.95349
10 3LZW FAD 0.03572 0.41434 4.51807
11 1NZY BCA 0.03124 0.4075 4.83271
12 4C3Y ANB 0.04807 0.41254 4.90566
13 1LFW AEP 0.0000007288 0.53186 5.34884
14 1Y0Y L2O VAL VAL ASP 0.002708 0.4421 5.5814
15 3PB9 1BN 0.009625 0.41091 5.75758
16 2PCU ASP 0.01132 0.40518 6.22951
17 4BUY F37 0.02369 0.41681 6.66667
18 3PBB PBD 0.0165 0.40939 6.99088
19 4MSG 2C6 0.003801 0.46823 7.8341
20 3UKR CKH 0.0128 0.40452 7.90698
21 3BJK CIT 0.04009 0.40557 13.0719
22 3FED BIX 0.008692 0.42535 14.186
23 2VL1 GLY GLY 0.0000000001203 0.82236 45.3488
24 4PXD 1AL 0.0000000001944 0.83599 48.6683
Pocket No.: 2; Query (leader) PDB : 4PXE; Ligand: GLV; 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: 4pxe.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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