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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 MAE 0.5 0.666667
3 FUM 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 with APoc: 44
This union binding pocket(no: 1) in the query (biounit: 4pxe.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 3KDU NKS 1.44404
2 1J0D 5PA 1.46628
3 4RGQ 1GP 1.90217
4 4NBU NAI 2.4
5 5OCS FMN 2.42588
6 3OTI C0T 2.51256
7 4AU8 Z3R 2.7027
8 5F3I 5UJ 2.77778
9 4F9U PBD 2.88462
10 4HWS 1B3 2.91971
11 2ZOF BES 3.02326
12 5N2F 8HW 3.22581
13 2VUT NAD 3.40909
14 4DYO SD4 3.48837
15 6GBX S77 4.25532
16 5K8P 6R8 4.47059
17 3LZW FAD 4.51807
18 1NZY BCA 4.83271
19 4C3Y FAD 4.90566
20 4C3Y ANB 4.90566
21 1LFW AEP 5.34884
22 5XOY LYS 5.36193
23 4CQE CQE 5.39568
24 6GG9 FMN 5.55556
25 1Y0Y L2O VAL VAL ASP 5.5814
26 3PB9 1BN 5.75758
27 4FOU C2E 5.98291
28 2PCU ASP 6.22951
29 4BUY F37 6.66667
30 4RJK TPP 7.67442
31 4MSG 2C6 7.8341
32 3UKR CKH 7.90698
33 4Z87 GDP 7.90698
34 4EUU BX7 8.77743
35 3ALT MLB 8.9172
36 5NWD 9C8 12.2449
37 3BJK CIT 13.0719
38 3FED BIX 14.186
39 5VO3 SIN 14.2105
40 6CDG PRO GLY LEU TRP LYS SER 14.9701
41 1TF9 PHI 25.7042
42 5V22 SAH 40
43 2VL1 GLY GLY 45.3488
44 4PXD 1AL 48.6683
Pocket No.: 2; Query (leader) PDB : 4PXE; Ligand: GLV; Similar sites found with APoc: 11
This union binding pocket(no: 2) in the query (biounit: 4pxe.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 4RGQ 13P 1.90217
2 3H8G BES 2.32558
3 3DLG GWE 2.32558
4 5N2D 8J8 2.77778
5 1TI7 NAP 3.40909
6 3FQ8 PMP 3.51288
7 4FOJ C2E 4.16667
8 4ZLA BES 4.4186
9 1RPN NDP 8.0597
10 4X3R 686 12.3256
11 5VO3 API 14.2105
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