Download MendeleyHuman Carbonic Anhydrase II in complex with 4-(2-hydroxyethyl)benzenesulfonamide
Gloeckner, S., Heine, A., Klebe, G.To be published.
6RG5
Human Carbonic Anhydrase II in complex with 4-(2-hydroxyethyl)benzenesulfonamide
- PDB DOI: https://doi.org/10.2210/pdb6RG5/pdb
- Classification: LYASE
- Organism(s): Homo sapiens
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2019-04-16 Released: 2020-05-13
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.09 ?
- R-Value Free: 0.127
- R-Value Work: 0.111
- R-Value Observed: 0.112
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 | 265 | 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 | |
| BE7 Query on BE7 | D [auth A] | (4-CARBOXYPHENYL)(CHLORO)MERCURY C7 H5 Cl Hg O2 YFZOUMNUDGGHIW-UHFFFAOYSA-M |  | ||
| S2O Query on S2O | E [auth A], F [auth A], G [auth A], H [auth A] | 4-(2-hydroxyethyl)benzenesulfonamide C8 H11 N O3 S RYKHXKKLCRPAJP-UHFFFAOYSA-N |  | ||
| HG Query on HG | C [auth A] | MERCURY (II) ION Hg BQPIGGFYSBELGY-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: 1.09 ?
- R-Value Free: 0.127
- R-Value Work: 0.111
- R-Value Observed: 0.112
- Space Group: P 1 21 1
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 42.463 | ¦Á = 90 |
| b = 41.569 | ¦Â = 104.61 |
| c = 72.29 | ¦Ă = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| XDS | data reduction |
| XDS | data scaling |
| PHASER | phasing |
| Coot | model building |
Entry History
Deposition Data
- Released Date: 2020-05-13 Deposition Author(s): Gloeckner, S., Heine, A., Klebe, G.
Revision History (Full details and data files)
- Version 1.0: 2020-05-13
Type: Initial release - Version 1.1: 2024-01-24
Changes: Data collection, Database references, Derived calculations, Refinement description
