Receptor
PDB id Resolution Class Description Source Keywords
5EGH 1.8 Å EC: 3.1.4.-3.1.4.38 STRUCTURE OF ENPP6, A CHOLINE-SPECIFIC GLYCEROPHOSPHODIESTER PHOSPHODIESTERASE IN COMPLEX WITH PHOSPHOCHOLINE MUS MUSCULUS CHOLINE METABOLISM PHOSPHODIESTERASE HYDROLASE
Ref.: STRUCTURE AND BIOLOGICAL FUNCTION OF ENPP6, A CHOLINE-SPECIFIC GLYCEROPHOSPHODIESTER-PHOSPHODIEST SCI REP V. 6 20995 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN B:507;
B:508;
A:508;
A:509;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
NAG NAG B:505;
A:501;
A:506;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
408.404 n/a O=C(N...
NAG NAG FUL A:503;
B:502;
Invalid;
Invalid;
none;
none;
submit data n/a n/a n/a n/a
EDO B:511;
A:513;
A:510;
A:511;
B:509;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
PC B:510;
A:512;
Valid;
Valid;
none;
none;
submit data
184.151 C5 H15 N O4 P C[N+]...
NAG B:501;
Invalid;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5EGH 1.8 Å EC: 3.1.4.-3.1.4.38 STRUCTURE OF ENPP6, A CHOLINE-SPECIFIC GLYCEROPHOSPHODIESTER PHOSPHODIESTERASE IN COMPLEX WITH PHOSPHOCHOLINE MUS MUSCULUS CHOLINE METABOLISM PHOSPHODIESTERASE HYDROLASE
Ref.: STRUCTURE AND BIOLOGICAL FUNCTION OF ENPP6, A CHOLINE-SPECIFIC GLYCEROPHOSPHODIESTER-PHOSPHODIEST SCI REP V. 6 20995 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5EGH - PC C5 H15 N O4 P C[N+](C)(C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5EGH - PC C5 H15 N O4 P C[N+](C)(C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5EGH - PC C5 H15 N O4 P C[N+](C)(C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PC; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 PC 1 1
2 OPE 0.518519 0.680851
3 CH5 0.45 0.84
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5EGH; Ligand: PC; Similar sites found: 17
This union binding pocket(no: 1) in the query (biounit: 5egh.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UBY DMA 0.02083 0.42047 2.99728
2 2W92 NGT 0.001105 0.45876 3.0303
3 2W5T GP9 0.001842 0.44083 4.24528
4 2A1L PCW 0.02969 0.41502 4.44444
5 5K8B PDG 0.01879 0.4036 4.71464
6 4J6O CIT 0.002514 0.43982 4.92424
7 3LPP KTL 0.0146 0.40007 5.12821
8 1ZAP A70 0.0177 0.41332 5.26316
9 4KJG 4NP 0.0002397 0.48629 5.82751
10 3G9E RO7 0.0322 0.40463 5.90406
11 3IGZ 3PG 0.0023 0.40937 7.84314
12 3IGZ 2PG 0.0023 0.40937 7.84314
13 3T01 PPF 0.0000004007 0.52016 9.36768
14 1O98 2PG 0.003266 0.40587 18.1818
15 4REI 3MV 0.01162 0.40902 27.1523
16 1EI6 PPF 0.00002201 0.47691 28.8177
17 2GSU AMP 0.0000000008561 0.64695 48.6005
Pocket No.: 2; Query (leader) PDB : 5EGH; Ligand: PC; Similar sites found: 1
This union binding pocket(no: 2) in the query (biounit: 5egh.bio2) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5JSP DQY 0.01501 0.40317 13.9303
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