Download MendeleyQuantitative Comparison of Protein Dynamics in Live Cells and In Vitro by In-Cell 19F-NMR
Takaoka, Y., Kioi, Y., Morito, A., Otani, J., Arita, K., Ashihara, E., Ariyoshi, M., Tochio, H., Shirakawa, M., Hamachi, I.To be published.
3W6H | pdb_00003w6h
Crystal structure of 19F probe-labeled hCAI in complex with acetazolamide
- PDB DOI: https://doi.org/10.2210/pdb3W6H/pdb
- Classification: LYASE
- Organism(s): Homo sapiens
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2013-02-14 Released: 2013-03-13
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.96 Å
- R-Value Free: 0.283 (Depositor), 0.280 (DCC)
- R-Value Work: 0.222 (Depositor), 0.220 (DCC)
- R-Value Observed: 0.228 (Depositor)
Starting Model: experimental
View more details
This is version 1.2 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 |
| Carbonic anhydrase 1 | 260 | Homo sapiens | Mutation(s): 0 Gene Names: CA1 EC: 4.2.1.1 (PDB Primary Data), 4.2.1.69 (UniProt) |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P00915 (Homo sapiens) Explore P00915 Go to UniProtKB: P00915 | |||||
PHAROS: P00915 GTEx: ENSG00000133742 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P00915 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| FLB Query on FLB | C [auth A], F [auth B] | 1-(2-ethoxyethoxy)-3,5-bis(trifluoromethyl)benzene C12 H12 F6 O2 GWAJLKXPMOKZEL-UHFFFAOYSA-N |  | ||
| AZM Query on AZM | E [auth A], H [auth B] | 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE C4 H6 N4 O3 S2 BZKPWHYZMXOIDC-UHFFFAOYSA-N |  | ||
| ZN Query on ZN | D [auth A], G [auth B] | ZINC ION Zn PTFCDOFLOPIGGS-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.96 Å
- R-Value Free: 0.283 (Depositor), 0.280 (DCC)
- R-Value Work: 0.222 (Depositor), 0.220 (DCC)
- R-Value Observed: 0.228 (Depositor)
Space Group: P 21 21 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 62.039 | α = 90 |
| b = 65.28 | β = 90 |
| c = 120.485 | γ = 90 |
| Software Name | Purpose |
|---|---|
| ADSC | data collection |
| PHASER | phasing |
| PHENIX | refinement |
| HKL-2000 | data reduction |
| HKL-2000 | data scaling |
Entry History
Deposition Data
- Released Date: 2013-03-13 Deposition Author(s): Takaoka, Y., Kioi, Y., Morito, A., Otani, J., Arita, K., Ashihara, E., Ariyoshi, M., Tochio, H., Shirakawa, M., Hamachi, I.
Revision History (Full details and data files)
- Version 1.0: 2013-03-13
Type: Initial release - Version 1.1: 2023-11-08
Changes: Data collection, Database references, Derived calculations, Refinement description - Version 1.2: 2024-10-16
Changes: Structure summary
