Download Mendeley17beta-hydroxysteroid dehydrogenase type 14 variant S205 in complex with non-steroidal inhibitor
Badran, M.J., Heine, A., Klebe, G.To be published.
6ZR6
17beta-hydroxysteroid dehydrogenase type 14 variant S205 in complex with non-steroidal inhibitor
- PDB DOI: https://doi.org/10.2210/pdb6ZR6/pdb
- Classification: OXIDOREDUCTASE
- Organism(s): Homo sapiens
- Expression System: Escherichia coli 'BL21-Gold(DE3)pLysS AG
- Mutation(s): Yes
- Deposited: 2020-07-11 Released: 2021-07-21
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.50 Å
- R-Value Free: 0.180
- R-Value Work: 0.152
- R-Value Observed: 0.153
Starting Model: experimental
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This is version 1.2 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 |
| 17-beta-hydroxysteroid dehydrogenase 14 | 270 | Homo sapiens | Mutation(s): 1 Gene Names: HSD17B14, DHRS10, SDR3, SDR47C1, UNQ502/PRO474 EC: 1.1.1 (PDB Primary Data), 1.1.1.62 (UniProt) |  | |
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 | C [auth A] | NICOTINAMIDE-ADENINE-DINUCLEOTIDE C21 H27 N7 O14 P2 BAWFJGJZGIEFAR-NNYOXOHSSA-N |  | ||
| F45 (Subject of Investigation/LOI) Query on F45 | E [auth A] | [6-(3,4-dihydroxyphenyl)pyridin-2-yl](4-fluoro-3-hydroxyphenyl)methanone C18 H12 F N O4 USZFAGSFWNNZLX-UHFFFAOYSA-N |  | ||
| BGC Query on BGC | B [auth A] | beta-D-glucopyranose C6 H12 O6 WQZGKKKJIJFFOK-VFUOTHLCSA-N |  | ||
| NA Query on NA | D [auth A] | SODIUM ION Na FKNQFGJONOIPTF-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.50 Å
- R-Value Free: 0.180
- R-Value Work: 0.152
- R-Value Observed: 0.153
- Space Group: I 4 2 2
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 91.102 | α = 90 |
| b = 91.102 | β = 90 |
| c = 132.098 | γ = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| XDS | data reduction |
| XDS | data scaling |
| PHASER | phasing |
Entry History
Deposition Data
- Released Date: 2021-07-21 Deposition Author(s): Badran, M.J., Heine, A., Klebe, G.
Revision History (Full details and data files)
- Version 1.0: 2021-07-21
Type: Initial release - Version 1.1: 2024-01-31
Changes: Data collection, Database references, Refinement description - Version 1.2: 2024-10-23
Changes: Structure summary
