Download MendeleyCrystallographic selection of adenosine analogs that fit the mold of the active site of human GRP78 and beyond
Antoshchenko, T., Chen, Y., Park, H.To be published.
6CZ1
Crystal structure of ATPase domain of Human GRP78 bound to Ver155008
- PDB DOI: https://doi.org/10.2210/pdb6CZ1/pdb
- Classification: CHAPERONE
- Organism(s): Homo sapiens
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2018-04-07 Released: 2019-04-10
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.68 Å
- R-Value Free: 0.218
- R-Value Work: 0.187
- R-Value Observed: 0.189
Starting Model: experimental
View more details
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 |
| Endoplasmic reticulum chaperone BiP | 382 | Homo sapiens | Mutation(s): 0 Gene Names: HSPA5, GRP78 EC: 3.6.4.10 |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P11021 (Homo sapiens) Explore P11021 Go to UniProtKB: P11021 | |||||
PHAROS: P11021 GTEx: ENSG00000044574 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P11021 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| 3FD Query on 3FD | C [auth A], E [auth B] | 4-[[(2R,3S,4R,5R)-5-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile C25 H23 Cl2 N7 O4 ZXGGCBQORXDVTE-UMCMBGNQSA-N |  | ||
| MG Query on MG | D [auth A], F [auth B] | MAGNESIUM ION Mg JLVVSXFLKOJNIY-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.68 Å
- R-Value Free: 0.218
- R-Value Work: 0.187
- R-Value Observed: 0.189
- Space Group: P 1 21 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 55.28 | α = 90 |
| b = 74.92 | β = 98.52 |
| c = 86.2 | γ = 90 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| PDB_EXTRACT | data extraction |
| XDS | data reduction |
| SCALA | data scaling |
| MOLREP | phasing |
Entry History
Deposition Data
- Released Date: 2019-04-10 Deposition Author(s): Antoshchenko, T., Chen, Y., Hughes, S., Park, H.
Revision History (Full details and data files)
- Version 1.0: 2019-04-10
Type: Initial release - Version 1.1: 2023-10-04
Changes: Data collection, Database references, Derived calculations, Refinement description
