hPDE4D2 structure with inhibitor NPD-617
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 9 Unique | |||||
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ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
QWT (Subject of Investigation/LOI) Query on QWT | BB [auth C], G [auth A], HA [auth B], TB [auth D] | 1-cycloheptyl-3-(4-methoxy-3-{4-[4-(1H-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy}phenyl)-4,4-dimethyl-4,5-dihydro-1H-pyrazol-5-one C30 H38 N6 O4 JPXAIORZGBCHIB-UHFFFAOYSA-N | |||
EPE Query on EPE | JB [auth C], KC [auth D], SA [auth B], TA [auth B], W [auth A] | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID C8 H18 N2 O4 S JKMHFZQWWAIEOD-UHFFFAOYSA-N | |||
ILE Query on ILE | XA [auth C] | ISOLEUCINE C6 H13 N O2 AGPKZVBTJJNPAG-WHFBIAKZSA-N | |||
PRO Query on PRO | YA [auth C] | PROLINE C5 H9 N O2 ONIBWKKTOPOVIA-BYPYZUCNSA-N | |||
PEG Query on PEG | FC [auth D], GC [auth D], HB [auth C], P [auth A], PB [auth D] | DI(HYDROXYETHYL)ETHER C4 H10 O3 MTHSVFCYNBDYFN-UHFFFAOYSA-N | |||
DMS Query on DMS | HC [auth D] IB [auth C] IC [auth D] Q [auth A] QA [auth B] | DIMETHYL SULFOXIDE C2 H6 O S IAZDPXIOMUYVGZ-UHFFFAOYSA-N | |||
ZN Query on ZN | E [auth A], FA [auth B], RB [auth D], ZA [auth C] | ZINC ION Zn PTFCDOFLOPIGGS-UHFFFAOYSA-N | |||
EDO Query on EDO | AA [auth A] AC [auth D] BA [auth A] BC [auth D] CB [auth C] | 1,2-ETHANEDIOL C2 H6 O2 LYCAIKOWRPUZTN-UHFFFAOYSA-N | |||
MG Query on MG | AB [auth C], CA [auth A], F [auth A], GA [auth B], SB [auth D] | MAGNESIUM ION Mg JLVVSXFLKOJNIY-UHFFFAOYSA-N |
Length ( Å ) | Angle ( ˚ ) |
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a = 98.44 | α = 90 |
b = 110.82 | β = 90 |
c = 161.03 | γ = 90 |
Software Name | Purpose |
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REFMAC | refinement |
PDB_EXTRACT | data extraction |
xia2 | data reduction |
XSCALE | data scaling |
PHASER | phasing |
Funding Organization | Location | Grant Number |
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European Union (EU) | European Union | 602666 |