Download MendeleyThe Promiscuous Nature of Althiazide in Adducts with CA II and CA IX Mimic
Quirit, J.G., Robbins, A., Rocca, J.R., Johnson, J., Genis, C., Tu, C., Silverman, D.N., McKenna, R.To be published.
3L14
Human Carbonic Anhydrase II complexed with Althiazide
- PDB DOI: https://doi.org/10.2210/pdb3L14/pdb
- Classification: LYASE
- Organism(s): Homo sapiens
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2009-12-10 Released: 2011-01-05
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.22 Å
- R-Value Free: 0.173
- R-Value Work: 0.130
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 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 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| I7B Query on I7B | C [auth A] | 4-AMINO-6-CHLOROBENZENE-1,3-DISULFONAMIDE C6 H8 Cl N3 O4 S2 IHJCXVZDYSXXFT-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: 1.22 Å
- R-Value Free: 0.173
- R-Value Work: 0.130
- Space Group: P 1 21 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 42.158 | α = 90 |
| b = 41.396 | β = 104.37 |
| c = 72.391 | γ = 90 |
| Software Name | Purpose |
|---|---|
| ADSC | data collection |
| SHELX | model building |
| SHELXL-97 | refinement |
| HKL-2000 | data reduction |
| HKL-2000 | data scaling |
| SHELX | phasing |
Entry History
Deposition Data
- Released Date: 2011-01-05 Deposition Author(s): Quirit, J.G., Robbins, A., Genis, C., Tu, C., Silverman, D.N., McKenna, R.
Revision History (Full details and data files)
- Version 1.0: 2011-01-05
Type: Initial release - Version 1.1: 2011-07-13
Changes: Version format compliance - Version 1.2: 2024-02-21
Changes: Data collection, Database references, Derived calculations
