Download MendeleyHsp90-alpha N-domain bound to NECA
Huck, J.D., Gewirth, D.T.To be published.
6B99
Hsp90-alpha N-domain bound to NECA
- PDB DOI: https://doi.org/10.2210/pdb6B99/pdb
- Classification: Chaperone/Inhibitor
- Organism(s): Homo sapiens
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2017-10-10 Released: 2018-10-17
- Funding Organization(s): National Institutes of Health/National Cancer Institute (NIH/NCI), Avon Foundation, Goode Foundation of Buffalo
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.60 Å
- R-Value Free: 0.183
- R-Value Work: 0.164
- R-Value Observed: 0.165
Starting Model: experimental
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This is version 1.2 of the entry. See complete history.
Literature
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Heat shock protein HSP 90-alpha | 256 | Homo sapiens | Mutation(s): 0 Gene Names: HSP90AA1, HSP90A, HSPC1, HSPCA EC: 3.6.4.10 |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P07900 (Homo sapiens) Explore P07900 Go to UniProtKB: P07900 | |||||
PHAROS: P07900 GTEx: ENSG00000080824 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P07900 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| NEC (Subject of Investigation/LOI) Query on NEC | B [auth A] | N-ETHYL-5'-CARBOXAMIDO ADENOSINE C12 H16 N6 O4 JADDQZYHOWSFJD-FLNNQWSLSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.60 Å
- R-Value Free: 0.183
- R-Value Work: 0.164
- R-Value Observed: 0.165
- Space Group: I 2 2 2
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 64.547 | α = 90 |
| b = 90.077 | β = 90 |
| c = 98.409 | γ = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| HKL-2000 | data reduction |
| HKL-2000 | data scaling |
| PHENIX | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2018-10-17 Deposition Author(s): Huck, J.D., Gewirth, D.T.
| Funding Organization | Location | Grant Number |
|---|---|---|
| National Institutes of Health/National Cancer Institute (NIH/NCI) | United States | P01-CA186866 |
| National Institutes of Health/National Cancer Institute (NIH/NCI) | United States | R01-CA095130 |
| Avon Foundation | United States | 02-2016-079 |
| Goode Foundation of Buffalo | United States | -- |
Revision History (Full details and data files)
- Version 1.0: 2018-10-17
Type: Initial release - Version 1.1: 2019-12-04
Changes: Author supporting evidence - Version 1.2: 2023-10-04
Changes: Data collection, Database references, Refinement description
