2026-02-14_00000519
|
ligand
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9WP3
The crystal structure of PDE2A complexed with inhibitor 13j;
X-ray diffraction 2.50Å
Protein #1
340 residues (91% resolved)
Raw Sequence ...
DEYTKLLHDGIQPVAAIDSNFASFTYTPRSLPEDDTSMAILSMLQDMNFINNYKIDCPTLARFCLMVKKGYRDPPYHNWMHAFSVSHFCYLLYKNLELTNYLEDIEIFALFISCMCHDLDHRGTNNSFQVASKSVLAALYSSEGSVMERHHFAQAIAILNTHGCNIFDHFSRKDYQRMLDLMRDIILATDLAHHLRIFKDLQKMAEVGYDRNNKQHHRLLLCLLMTSCDLSDQTKGWKTTRKIAELIYKEFFSQGDLEKAMGNRPMEMMDREKAYIPELQISFMEHIAMPIYKLLQDLFPKAAELYERVASNREHWTKVSHKFTIRGLPSNNSLDFLDEE
Canonical Sequence ...
DEYTKLLHDGIQPVAAIDSNFASFTYTPRSLPEDDTSMAILSMLQDMNFINNYKIDCPTLARFCLMVKKGYRDPPYHNWMHAFSVSHFCYLLYKNLELTNYLEDIEIFALFISCMCHDLDHRGTNNSFQVASKSVLAALYSSEGSVMERHHFAQAIAILNTHGCNIFDHFSRKDYQRMLDLMRDIILATDLAHHLRIFKDLQKMAEVGYDRNNKQHHRLLLCLLMTSCDLSDQTKGWKTTRKIAELIYKEFFSQGDLEKAMGNRPMEMMDREKAYIPELQISFMEHIAMPIYKLLQDLFPKAAELYERVASNREHWTKVSHKFTIRGLPSNNSLDFLDEE
Non polymer #2
A1E46
InChI=1S/C17H17F3N4O2/c1-2-12(9-3-5-10(6-4-9)17(18,19)20)22-16(26)14-11-7-8-21-15(25)13(11)23-24-14/h3-6,12H,2,7-8H2,1H3,(H,21,25)(H,22,26)(H,23,24)/t12-/m0/s1
InChI=1S/C17H17F3N4O2/c1-2-12(9-3-5-10(6-4-9)17(18,19)20)22-16(26)14-11-7-8-21-15(25)13(11)23-24-14/h3-6,12H,2,7-8H2,1H3,(H,21,25)(H,22,26)(H,23,24)/t12-/m0/s1
SMILES: CC[C@@H](c1ccc(cc1)C(F)(F)F)NC(=O)c2c3c(n[nH]2)C(=O)NCC3
CC[C@@H](c1ccc(cc1)C(F)(F)F)NC(=O)c2c3c(n[nH]2)C(=O)NCC3
Non polymer #3
MG
InChI=1S/Mg/q+2
InChI=1S/Mg/q+2
SMILES: [Mg+2]
[Mg+2]
Non polymer #4
ZN
InChI=1S/Zn/q+2
InChI=1S/Zn/q+2
SMILES: [Zn+2]
[Zn+2]
Biounit #1
homo-tetramer
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Model
Reference
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