hPDE4D2 structure with inhibitor NPD-769
Singh, A.K., Brown, D.G.To be published.
Experimental Data Snapshot
Starting Model: experimental
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Entity ID: 1 | |||||
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Molecule | Chains | Sequence Length | Organism | Details | Image |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 364 | Homo sapiens | Mutation(s): 0  Gene Names: PDE4D, DPDE3 EC: 3.1.4.53 | ||
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for Q08499 (Homo sapiens) Explore Q08499  Go to UniProtKB:  Q08499 | |||||
PHAROS:  Q08499 GTEx:  ENSG00000113448  | |||||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | Q08499 | ||||
Sequence AnnotationsExpand | |||||
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Ligands 7 Unique | |||||
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ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
J2E (Subject of Investigation/LOI) Query on J2E | CB [auth C], OA [auth B], UB [auth D], W [auth A] | 1-cycloheptyl-3-[3-(cyclopentyloxy)-4-methoxyphenyl]-4,4-dimethyl-4,5-dihydro-1H-pyrazol-5-one C24 H34 N2 O3 MDEBQDIFTFRECC-UHFFFAOYSA-N | |||
EPE Query on EPE | MA [auth B], PA [auth B], WB [auth D], YA [auth C], Z [auth A] | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID C8 H18 N2 O4 S JKMHFZQWWAIEOD-UHFFFAOYSA-N | |||
PEG Query on PEG | OB [auth D], VB [auth D] | DI(HYDROXYETHYL)ETHER C4 H10 O3 MTHSVFCYNBDYFN-UHFFFAOYSA-N | |||
DMS Query on DMS | KA [auth B], LA [auth B] | DIMETHYL SULFOXIDE C2 H6 O S IAZDPXIOMUYVGZ-UHFFFAOYSA-N | |||
ZN Query on ZN | BA [auth B], E [auth A], FB [auth D], QA [auth C] | ZINC ION Zn PTFCDOFLOPIGGS-UHFFFAOYSA-N | |||
EDO Query on EDO | AA [auth A] AB [auth C] BB [auth C] DA [auth B] DB [auth C] | 1,2-ETHANEDIOL C2 H6 O2 LYCAIKOWRPUZTN-UHFFFAOYSA-N | |||
MG Query on MG | CA [auth B], F [auth A], GB [auth D], RA [auth C] | MAGNESIUM ION Mg JLVVSXFLKOJNIY-UHFFFAOYSA-N |
Length ( Å ) | Angle ( ˚ ) |
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a = 98.701 | α = 90 |
b = 111.245 | β = 90 |
c = 160.084 | γ = 90 |
Software Name | Purpose |
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REFMAC | refinement |
PDB_EXTRACT | data extraction |
XDS | data reduction |
Aimless | data scaling |
PHASER | phasing |
Funding Organization | Location | Grant Number |
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European Union (EU) | European Union | 602666 |