Download MendeleyHIgh resolution crystal structures of Carbonic Anhzdrase II in complex with nonvel sulfamide binders
Di Pizio, A., Schulze Wischeler, J., Haake, M., Heine, A., Supuran, C., Klebe, G.To be published.
4FU5
Carbonic Anhydrase II in complex with N-[(2Z)-1,3-oxazolidin-2-ylidene]sulfuric diamide
- PDB DOI: https://doi.org/10.2210/pdb4FU5/pdb
- Classification: LYASE/LYASE INHIBITOR
- Organism(s): Homo sapiens
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2012-06-28 Released: 2013-07-17
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 0.98 ?
- R-Value Free: 0.150
- R-Value Work: 0.123
- R-Value Observed: 0.124
Starting Model: experimental
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This is version 1.1 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 2 | 260 | Homo sapiens | Mutation(s): 0 Gene Names: CA2 EC: 4.2.1.1 (PDB Primary Data), 4.2.1.69 (UniProt) |  | |
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 | |||||
| |||||
Small Molecules
| Ligands 4 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| MBO Query on MBO | B [auth A] | MERCURIBENZOIC ACID C7 H5 Hg O2 FVFZSVRSDNUCGG-UHFFFAOYSA-N |  | ||
| 0VX Query on 0VX | D [auth A] | N-[(2Z)-1,3-oxazolidin-2-ylidene]sulfuric diamide C3 H7 N3 O3 S DZVNFECQEPNTMT-UHFFFAOYSA-N |  | ||
| DMS Query on DMS | E [auth A], F [auth A] | DIMETHYL SULFOXIDE C2 H6 O S IAZDPXIOMUYVGZ-UHFFFAOYSA-N |  | ||
| ZN Query on ZN | C [auth A] | ZINC ION Zn PTFCDOFLOPIGGS-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 0.98 ?
- R-Value Free: 0.150
- R-Value Work: 0.123
- R-Value Observed: 0.124
- Space Group: P 1 21 1
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 42.183 | ¦Á = 90 |
| b = 41.532 | ¦Â = 104.23 |
| c = 72.172 | ¦Ă = 90 |
| Software Name | Purpose |
|---|---|
| MAR345dtb | data collection |
| PHASER | phasing |
| SHELXL-97 | refinement |
| HKL-2000 | data reduction |
| HKL-2000 | data scaling |
Entry History
Deposition Data
- Released Date: 2013-07-17 Deposition Author(s): Di Pizio, A., Heine, A., Klebe, G.
Revision History (Full details and data files)
- Version 1.0: 2013-07-17
Type: Initial release - Version 1.1: 2023-09-13
Changes: Data collection, Database references, Derived calculations, Refinement description
