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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 9 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 8 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 6 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 with APoc: 28
This union binding pocket(no: 1) in the query (biounit: 5kas.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 1QIN GIP 1.63934
2 1OS1 PYR 1.63934
3 1OS1 ATP 1.63934
4 4DHL 0K7 2.34742
5 1II7 DA 2.7027
6 5IHE D5M 2.8103
7 4H2F ADN 3.27869
8 5UFS 1TA 3.62903
9 4WB6 ATP 4
10 3ZKI WZV 4.40415
11 4BG1 OGA 4.65116
12 4BG1 IVL 4.65116
13 4WB7 ATP 4.69136
14 4GIM PSU 5.37313
15 5ECP MET 5.38117
16 5ECP ATP 5.38117
17 5ECP JAA 5.38117
18 2ZO9 MLI 5.83942
19 1YTM OXD 6.08899
20 4PEG 5GP 7.22222
21 4J6O CIT 7.57576
22 2QCS ANP 8.24742
23 4ZX2 4TE 8.40841
24 3RL3 5GP 9.12162
25 3FHI ANP 10.3896
26 5O6Y 5YA 10.7477
27 3IB8 AMP 29.0909
28 5I85 PC 45.4333
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