Receptor
PDB id Resolution Class Description Source Keywords
5KAS 1.62 Å EC: 3.1.4.- MURINE ACID SPHINGOMYELINASE-LIKE PHOSPHODIESTERASE 3B (SMPD PHOSPHOCHOLINE MUS MUSCULUS PHOSPHOESTERASE EXTRACELLULAR MEMBRANE PHOSPHOCHOLINE HY
Ref.: CRYSTAL STRUCTURE OF THE ACID SPHINGOMYELINASE-LIKE PHOSPHODIESTERASE SMPDL3B PROVIDES INSIGHTS INTO DETERMINANTS OF SUBSTRATE SPECIFICITY. J.BIOL.CHEM. V. 291 24054 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN A:502;
A:501;
A:503;
A:504;
A:505;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
FUC NAG NAG A:512;
Invalid;
none;
submit data n/a n/a n/a n/a
NO3 A:515;
A:516;
Invalid;
Invalid;
none;
none;
submit data
62.005 N O3 [N+](...
NAG NAG A:506;
Invalid;
none;
submit data
408.404 n/a O=C(N...
PC A:517;
Valid;
none;
submit data
184.151 C5 H15 N O4 P C[N+]...
NAG BMA NAG MAN A:510;
Invalid;
none;
submit data n/a n/a n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5KAS 1.62 Å EC: 3.1.4.- MURINE ACID SPHINGOMYELINASE-LIKE PHOSPHODIESTERASE 3B (SMPD PHOSPHOCHOLINE MUS MUSCULUS PHOSPHOESTERASE EXTRACELLULAR MEMBRANE PHOSPHOCHOLINE HY
Ref.: CRYSTAL STRUCTURE OF THE ACID SPHINGOMYELINASE-LIKE PHOSPHODIESTERASE SMPDL3B PROVIDES INSIGHTS INTO DETERMINANTS OF SUBSTRATE SPECIFICITY. J.BIOL.CHEM. V. 291 24054 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 5KAS - 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 6 families.
1 5KAS - PC C5 H15 N O4 P C[N+](C)(C....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 5FC5 - PC C5 H15 N O4 P C[N+](C)(C....
2 5FCB - AMP C10 H14 N5 O7 P c1nc(c2c(n....
3 5FC6 - AP2 C11 H17 N5 O9 P2 c1nc(c2c(n....
4 5KAS - 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 : 5KAS; Ligand: PC; Similar sites found: 10
This union binding pocket(no: 1) in the query (biounit: 5kas.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4DHL 0K7 0.00001256 0.55901 2.34742
2 1II7 DA 0.0000000317 0.69544 2.7027
3 5IHE D5M 0.00000008248 0.656 2.8103
4 2ZO9 MLI 0.00000007031 0.68389 5.83942
5 1YTM OXD 0.01247 0.40656 6.08899
6 4PEG 5GP 0.0001019 0.51338 7.22222
7 4J6O CIT 0.00007958 0.5103 7.57576
8 4ZX2 4TE 0.000001316 0.60495 8.40841
9 3RL3 5GP 0.000003501 0.52205 9.12162
10 5I85 PC 0.0000000000302 0.8641 45.4333
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