Download MendeleyCrystal structure of FMN quinone reductase 2 in complex with melatonin at 1.55A
Serriere, J., Boutin, J.A., Isabet, T., Antoine, M., Ferry, G.To be published.
4QOI
Crystal structure of FMN quinone reductase 2 in complex with melatonin at 1.55A
- PDB DOI: https://doi.org/10.2210/pdb4QOI/pdb
- Classification: OXIDOREDUCTASE
- Organism(s): Homo sapiens
- Expression System: Escherichia coli
- Mutation(s): Yes
- Deposited: 2014-06-20 Released: 2015-07-01
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.55 Å
- R-Value Free: 0.197
- R-Value Work: 0.177
- R-Value Observed: 0.178
Starting Model: experimental
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This is version 1.1 of the entry. See complete history.
Literature
To be published.
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Ribosyldihydronicotinamide dehydrogenase [quinone] | 231 | Homo sapiens | Mutation(s): 1 Gene Names: NQO2, NMOR2 EC: 1.10.99.2 (PDB Primary Data), 1.10.5.1 (UniProt) |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P16083 (Homo sapiens) Explore P16083 Go to UniProtKB: P16083 | |||||
PHAROS: P16083 GTEx: ENSG00000124588 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P16083 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| FMN Query on FMN | C [auth A], F [auth B] | FLAVIN MONONUCLEOTIDE C17 H21 N4 O9 P FVTCRASFADXXNN-SCRDCRAPSA-N |  | ||
| ML1 Query on ML1 | E [auth A], H [auth B] | N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide C13 H16 N2 O2 DRLFMBDRBRZALE-UHFFFAOYSA-N |  | ||
| ZN Query on ZN | D [auth A], G [auth B] | ZINC ION Zn PTFCDOFLOPIGGS-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.55 Å
- R-Value Free: 0.197
- R-Value Work: 0.177
- R-Value Observed: 0.178
- Space Group: P 21 21 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 56.24 | α = 90 |
| b = 83.63 | β = 90 |
| c = 106.83 | γ = 90 |
| Software Name | Purpose |
|---|---|
| XDS | data scaling |
| MOLREP | phasing |
| BUSTER | refinement |
| XDS | data reduction |
Entry History
Deposition Data
- Released Date: 2015-07-01 Deposition Author(s): Serriere, J., Boutin, J.A., Isabet, T., Antoine, M., Ferry, G.
Revision History (Full details and data files)
- Version 1.0: 2015-07-01
Type: Initial release - Version 1.1: 2023-09-20
Changes: Data collection, Database references, Derived calculations, Refinement description
