Download MendeleyDe novo design of small molecule-regulated protein oligomers
Jin, Q., Wang, Y., Chen, D., Liao, J., Cui, Z., Fan, Y., Zeng, A., Xie, M., Cao, L.(2026) Science
9LNT | pdb_00009lnt
Crystal structure of de novo designed amantadine induced homotrimer mAIT03
- PDB DOI: https://doi.org/10.2210/pdb9LNT/pdb
- Classification: DE NOVO PROTEIN
- Organism(s): Escherichia coli
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2025-01-22 Released: 2025-12-17
- Funding Organization(s): Ministry of Science and Technology (MoST, China)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.90 Å
- R-Value Free: 0.291 (Depositor), 0.291 (DCC)
- R-Value Work: 0.247 (Depositor), 0.238 (DCC)
Starting Model: in silico
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This is version 1.0 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 |
| mAIT03 | A, B [auth C], C [auth E] | 57 | Escherichia coli | Mutation(s): 0 |  |
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| 308 (Subject of Investigation/LOI) Query on 308 | G [auth C] | (3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-amine C10 H17 N DKNWSYNQZKUICI-CHIWXEEVSA-N |  | ||
| UNX (Subject of Investigation/LOI) Query on UNX | D [auth A], E [auth A], F [auth A], H [auth C] | UNKNOWN ATOM OR ION X |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.90 Å
- R-Value Free: 0.291 (Depositor), 0.291 (DCC)
- R-Value Work: 0.247 (Depositor), 0.238 (DCC)
Space Group: P 21 21 2
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 78.818 | α = 90 |
| b = 58 | β = 90 |
| c = 40.818 | γ = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| CrysalisPro | data reduction |
| CrysalisPro | data scaling |
| PHENIX | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2025-12-17 Deposition Author(s): Qihan, J., Longxing, C.
| Funding Organization | Location | Grant Number |
|---|---|---|
| Ministry of Science and Technology (MoST, China) | China | 2022YFA1303700 |
Revision History (Full details and data files)
- Version 1.0: 2025-12-17
Type: Initial release
