7ZEJ

Deposited: 2022-03-31 Released: 2022-05-04
Deposition Author(s): Shafqat, N., Yue, W.W., Koekemoer, L., Niesen, F., Ugochukwu, E., Vollmar, M., Weigelt, J., Krojer, T., Pike, A., Chaikaud, A., Von Delft, F., Arrowsmith, C., Bountra, C., Edwards, A., Opperman, U., Structural Genomics Consortium (SGC)
Funding Organization(s): The Structural Genomics Consortium (SGC)

Experimental Data Snapshot

Starting Model: experimental
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wwPDB Validation 3D Report Full Report

Ligand Structure Quality Assessment

This is version 1.1 of the entry. See complete history.

Literature

Macromolecule Content

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Prostaglandin reductase 3	A, B	341	Homo sapiens	Mutation(s): 0 Gene Names: ZADH2, PTGR3 EC: 1.3.1.48
UniProt & NIH Common Fund Data Resources
Find proteins for Q8N4Q0 (Homo sapiens) Explore Q8N4Q0 Go to UniProtKB: Q8N4Q0
PHAROS: Q8N4Q0 GTEx: ENSG00000180011
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	Q8N4Q0
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 2 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
NAP (Subject of Investigation/LOI) Query on NAP Download Ideal Coordinates CCD File SDF format, chain C [auth A] SDF format, chain E [auth B] MOL2 format, chain C [auth A] MOL2 format, chain E [auth B] mmCIF format, chain C [auth A] mmCIF format, chain E [auth B]	C [auth A], E [auth B]	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE C₂₁ H₂₈ N₇ O₁₇ P₃ XJLXINKUBYWONI-NNYOXOHSSA-N		Interactions Focus chain C [auth A] Focus chain E [auth B] Interactions & Density Focus chain C [auth A] Focus chain E [auth B]
CEL (Subject of Investigation/LOI) Query on CEL Download Ideal Coordinates CCD File SDF format, chain D [auth A] SDF format, chain F [auth B] MOL2 format, chain D [auth A] MOL2 format, chain F [auth B] mmCIF format, chain D [auth A] mmCIF format, chain F [auth B]	D [auth A], F [auth B]	4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE C₁₇ H₁₄ F₃ N₃ O₂ S RZEKVGVHFLEQIL-UHFFFAOYSA-N		Interactions Focus chain D [auth A] Focus chain F [auth B] Interactions & Density Focus chain D [auth A] Focus chain F [auth B]