Download MendeleyFragment-Based Drug Discovery for Transthyretin Kinetic Stabilisers Using a Novel Capillary Zone Electrophoresis Method
Chen, W.(2025) bioRxiv
9H7B | pdb_00009h7b
Human Transthyretin in Complex with Biphenyl-4-carboxylic Acid
- PDB DOI: https://doi.org/10.2210/pdb9H7B/pdb
- Classification: TRANSPORT PROTEIN
- Organism(s): Homo sapiens
- Expression System: Homo sapiens
- Mutation(s): No
- Deposited: 2024-10-27 Released: 2025-03-12
- Funding Organization(s): University of College London, Other private
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.51 ?
- R-Value Free: 0.228 (Depositor), 0.236 (DCC)
- R-Value Work: 0.169 (Depositor), 0.178 (DCC)
- R-Value Observed: 0.172 (Depositor)
Starting Model: experimental
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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 |
| Transthyretin | 127 | Homo sapiens | Mutation(s): 0 Gene Names: TTR, PALB |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P02766 (Homo sapiens) Explore P02766 Go to UniProtKB: P02766 | |||||
PHAROS: P02766 GTEx: ENSG00000118271 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P02766 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| Z7Z (Subject of Investigation/LOI) Query on Z7Z | D [auth A], E [auth B] | biphenyl-4-carboxylic acid C13 H10 O2 NNJMFJSKMRYHSR-UHFFFAOYSA-N |  | ||
| CA Query on CA | C [auth A] | CALCIUM ION Ca BHPQYMZQTOCNFJ-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.51 ?
- R-Value Free: 0.228 (Depositor), 0.236 (DCC)
- R-Value Work: 0.169 (Depositor), 0.178 (DCC)
- R-Value Observed: 0.172 (Depositor)
Space Group: P 21 21 2
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 83.486 | ¦Á = 90 |
| b = 41.105 | ¦Â = 90 |
| c = 62.775 | ¦Ă = 90 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| xia2.multiplex | data reduction |
| xia2.multiplex | data scaling |
| PHASER | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2025-03-12 Deposition Author(s): Chen, W.
| Funding Organization | Location | Grant Number |
|---|---|---|
| University of College London | United Kingdom | BXTX |
| Other private | HN9A |
Revision History (Full details and data files)
- Version 1.0: 2025-03-12
Type: Initial release
