Download MendeleyXFEL structure of hNQO1 mixed with NADH for 1.2 s
Martin-Garcia, J.M., Grieco, A., Botha, S., Quereda-Moraleda, I.To be published.
9EZT | pdb_00009ezt
XFEL structure of hNQO1 mixed with NADH for 1.2 s
- PDB DOI: https://doi.org/10.2210/pdb9EZT/pdb
- Classification: OXIDOREDUCTASE
- Organism(s): Homo sapiens
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2024-04-14 Released: 2025-04-23
- Funding Organization(s): Agencia Estatal de Investigacion (AEI), Comunidad de Madrid
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.50 Å
- R-Value Free: 0.250 (Depositor), 0.252 (DCC)
- R-Value Work: 0.192 (Depositor), 0.199 (DCC)
- R-Value Observed: 0.195 (Depositor)
Starting Model: experimental
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This is version 1.0 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 |
| NAD(P)H dehydrogenase [quinone] 1 | 274 | Homo sapiens | Mutation(s): 0 Gene Names: NQO1, DIA4, NMOR1 EC: 1.6.5.2 |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P15559 (Homo sapiens) Explore P15559 Go to UniProtKB: P15559 | |||||
PHAROS: P15559 GTEx: ENSG00000181019 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P15559 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 2 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| NAD(P)H dehydrogenase [quinone] 1 | 279 | Homo sapiens | Mutation(s): 0 Gene Names: NQO1, DIA4, NMOR1 EC: 1.6.5.2 |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P15559 (Homo sapiens) Explore P15559 Go to UniProtKB: P15559 | |||||
PHAROS: P15559 GTEx: ENSG00000181019 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P15559 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| FAD (Subject of Investigation/LOI) Query on FAD | E [auth A], F [auth B], H [auth C], J [auth D] | FLAVIN-ADENINE DINUCLEOTIDE C27 H33 N9 O15 P2 VWWQXMAJTJZDQX-UYBVJOGSSA-N |  | ||
| NAD Query on NAD | G [auth B], I [auth C] | NICOTINAMIDE-ADENINE-DINUCLEOTIDE C21 H27 N7 O14 P2 BAWFJGJZGIEFAR-NNYOXOHSSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.50 Å
- R-Value Free: 0.250 (Depositor), 0.252 (DCC)
- R-Value Work: 0.192 (Depositor), 0.199 (DCC)
- R-Value Observed: 0.195 (Depositor)
Space Group: P 21 21 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 61.5 | α = 90 |
| b = 107.8 | β = 90 |
| c = 198.1 | γ = 90 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| CrystFEL | data reduction |
| CrystFEL | data scaling |
| MOLREP | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2025-04-23 Deposition Author(s): Martin-Garcia, J.M., Grieco, A., Botha, S., Quereda-Moraleda, I.
| Funding Organization | Location | Grant Number |
|---|---|---|
| Agencia Estatal de Investigacion (AEI) | Spain | CNS2022-135713 |
| Comunidad de Madrid | Spain | 2019-T1/BMD-15552 |
Revision History (Full details and data files)
- Version 1.0: 2025-04-23
Type: Initial release
