Binding and structural basis of equine ACE2 to RBDs from SARS-CoV, SARS-CoV-2 and related coronaviruses
Xu, Z., Kang, X., Han, P., Du, P., Li, L., Zheng, A., Deng, C., Qi, J., Zhao, X., Wang, Q., Liu, K., Gao, G.F.(2022) Nat Commun 13: 3547
7W6U
Structure of SARS-CoV-2 spike receptor-binding domain complexed with its receptor equine ACE2
- PDB DOI: https://doi.org/10.2210/pdb7W6U/pdb
- Classification: VIRAL PROTEIN/INHIBITOR
- Organism(s): Equus caballus, Severe acute respiratory syndrome coronavirus 2
- Expression System: Escherichia coli, Homo sapiens
- Mutation(s): No
- Deposited: 2021-12-02 Released: 2022-06-08
- Funding Organization(s): National Natural Science Foundation of China (NSFC)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.56 Å
- R-Value Free: 0.227
- R-Value Work: 0.193
- R-Value Observed: 0.195
Starting Model: experimental
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This is version 1.4 of the entry. See complete history.
Literature
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
| Molecule | Chains | Sequence Length | Organism | Details | Image |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme | 602 | Equus caballus | Mutation(s): 0 Gene Names: ACE2 EC: 3.4.17.23 (PDB Primary Data), 3.4 (UniProt) | ||
Find proteins for F6V9L3 (Equus caballus) Explore F6V9L3 Go to UniProtKB: F6V9L3 | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | F6V9L3 | ||||
| |||||
Find similar proteins by:
(by identity cutoff) | 3D Structure
| Molecule | Chains | Sequence Length | Organism | Details | Image |
|---|---|---|---|---|---|
| Spike protein S1 | 229 | Severe acute respiratory syndrome coronavirus 2 | Mutation(s): 0 Gene Names: S, 2 | ||
Find proteins for P0DTC2 (Severe acute respiratory syndrome coronavirus 2) Explore P0DTC2 Go to UniProtKB: P0DTC2 | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P0DTC2 | ||||
| Glycosylation Sites: 1 | Go to GlyGen: P0DTC2-1 | ||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| NAG (Subject of Investigation/LOI) Query on NAG | D [auth B] | 2-acetamido-2-deoxy-beta-D-glucopyranose C8 H15 N O6 OVRNDRQMDRJTHS-FMDGEEDCSA-N | |||
| ZN (Subject of Investigation/LOI) Query on ZN | C [auth A] | ZINC ION Zn PTFCDOFLOPIGGS-UHFFFAOYSA-N | |||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.56 Å
- R-Value Free: 0.227
- R-Value Work: 0.193
- R-Value Observed: 0.195
- Space Group: I 41 2 2
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 195.57 | α = 90 |
| b = 195.57 | β = 90 |
| c = 149.77 | γ = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| xia2 | data reduction |
| xia2 | data scaling |
| PHASER | phasing |
Entry History & Funding Information
Deposition Data
| Funding Organization | Location | Grant Number |
|---|---|---|
| National Natural Science Foundation of China (NSFC) | China | 32100752 |
Revision History (Full details and data files)
- Version 1.0: 2022-06-08
Type: Initial release - Version 1.1: 2022-10-12
Changes: Source and taxonomy, Structure summary - Version 1.2: 2022-12-21
Changes: Database references - Version 1.3: 2023-11-29
Changes: Data collection, Refinement description - Version 1.4: 2024-10-16
Changes: Structure summary