Download MendeleyBinding of Fluorine Substituted Benzenesulfonamides to Carbonic Anhydrase II
Kim, C.-Y., Christianson, D.W.To be published.
1IF5
Carbonic Anhydrase II Complexed With 2,6-difluorobenzenesulfonamide
- PDB DOI: https://doi.org/10.2210/pdb1IF5/pdb
- Classification: LYASE
- Organism(s): Homo sapiens
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2001-04-12 Released: 2001-05-02
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.00 Å
- R-Value Free: 0.287
- R-Value Work: 0.221
wwPDB Validation 3D Report Full Report
This is version 1.4 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 II | 259 | Homo sapiens | Mutation(s): 0 EC: 4.2.1.1 |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P00918 (Homo sapiens) Explore P00918 Go to UniProtKB: P00918 | |||||
PHAROS: P00918 GTEx: ENSG00000104267 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P00918 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| HG Query on HG | C [auth A] | MERCURY (II) ION Hg BQPIGGFYSBELGY-UHFFFAOYSA-N |  | ||
| FBT Query on FBT | D [auth A] | 2,6-DIFLUOROBENZENESULFONAMIDE C6 H5 F2 N O2 S RVVVGGCOFWWDEL-UHFFFAOYSA-N |  | ||
| ZN Query on ZN | B [auth A] | ZINC ION Zn PTFCDOFLOPIGGS-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.00 Å
- R-Value Free: 0.287
- R-Value Work: 0.221
- Space Group: P 1 21 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 43.2 | α = 90 |
| b = 42.7 | β = 104.578 |
| c = 73.3 | γ = 90 |
| Software Name | Purpose |
|---|---|
| X-PLOR | model building |
| X-PLOR | refinement |
| DENZO | data reduction |
| SCALEPACK | data scaling |
| X-PLOR | phasing |
Entry History
Deposition Data
- Released Date: 2001-05-02 Deposition Author(s): Kim, C.-Y., Christianson, D.W.
Revision History (Full details and data files)
- Version 1.0: 2001-05-02
Type: Initial release - Version 1.1: 2008-04-27
Changes: Version format compliance - Version 1.2: 2011-07-13
Changes: Version format compliance - Version 1.3: 2018-04-04
Changes: Data collection - Version 1.4: 2023-08-16
Changes: Data collection, Database references, Derived calculations, Refinement description
