5O6O
17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal 2,6-pyridinketone inhibitor
- PDB DOI: https://doi.org/10.2210/pdb5O6O/pdb
- Classification: OXIDOREDUCTASE
- Organism(s): Homo sapiens
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2017-06-07 Released: 2018-06-06
- Funding Organization(s): German Research Foundation
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.45 Å
- R-Value Free: 0.167
- R-Value Work: 0.152
- R-Value Observed: 0.153
This is version 1.3 of the entry. See complete history.
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| 17-beta-hydroxysteroid dehydrogenase 14 | 274 | Homo sapiens | Mutation(s): 0 Gene Names: HSD17B14, DHRS10, SDR3, SDR47C1, UNQ502/PRO474 EC: 1.1.1 |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for Q9BPX1 (Homo sapiens) Explore Q9BPX1 Go to UniProtKB: Q9BPX1 | |||||
PHAROS: Q9BPX1 GTEx: ENSG00000087076 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q9BPX1 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 4 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| NAD Query on NAD | B [auth A] | NICOTINAMIDE-ADENINE-DINUCLEOTIDE C21 H27 N7 O14 P2 BAWFJGJZGIEFAR-NNYOXOHSSA-N |  | ||
| 9MB Query on 9MB | E [auth A] | 2-fluoranyl-3-[6-(4-fluoranyl-3-oxidanyl-phenoxy)pyridin-2-yl]phenol C17 H11 F2 N O3 URNXTVXZHNOBRL-UHFFFAOYSA-N |  | ||
| BGC Query on BGC | D [auth A] | beta-D-glucopyranose C6 H12 O6 WQZGKKKJIJFFOK-VFUOTHLCSA-N |  | ||
| NA Query on NA | C [auth A] | SODIUM ION Na FKNQFGJONOIPTF-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.45 Å
- R-Value Free: 0.167
- R-Value Work: 0.152
- R-Value Observed: 0.153
- Space Group: I 4 2 2
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 91.371 | α = 90 |
| b = 91.371 | β = 90 |
| c = 133.29 | γ = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| XDS | data reduction |
| XDS | data scaling |
| PHASER | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2018-06-06 Deposition Author(s): Bertoletti, N., Heine, A., Braun, F., Klebe, G., Marchais-Oberwinkler, S.
| Funding Organization | Location | Grant Number |
|---|---|---|
| German Research Foundation | Germany | MA-5287/1-1 |
| German Research Foundation | Germany | KL-1204/15-1 |
Revision History (Full details and data files)
- Version 1.0: 2018-06-06
Type: Initial release - Version 1.1: 2018-06-13
Changes: Data collection, Database references - Version 1.2: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Data collection, Derived calculations, Structure summary - Version 1.3: 2024-01-17
Changes: Data collection, Database references, Refinement description, Structure summary
