Research workbench
Active-site conformational dynamics of carbonic anhydrase II under native conditions: An NMR perspective
Analyse Active-site conformational dynamics of carbonic anhydrase II under native… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6HD2
- Type
- protein
- Length
- 260 residues
- Chains
- 1
- Method
- solution nmr
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- NOT
- Source
- Homo sapiens
- Molecule
- Carbonic anhydrase 2
- EC
- 4.2.1.1
- UniProt
- P00918
- Ligands
- ZN
- Pockets
- 6 · best druggability 0.67
Structure
solution nmr · resolution NOT · 1 distinct chain · 16% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Carbonic anhydrase 2 (EC 4.2.1.1) | protein | 260 | 16% helix, 31% strand | P00918 |
Ligands and binding sites
- ZN · Zinc ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 100 | 0.67 | 0.90 | 25 | empty |
| 2 | 303 | 0.61 | 0.78 | 33 | empty |
| 3 | 107 | 0.55 | 0.84 | 18 | empty |
| 4 | 110 | 0.46 | 0.79 | 24 | empty |
| 5 | 110 | 0.41 | 0.77 | 18 | empty |
Compared structures
- 6HD2 · Active-site conformational dynamics of carbonic anhydrase II under native conditions: an… · the same entry in another collection · chain A against A, TM-score 1.00
- P00918 · AlphaFold monomer V2.0 prediction for carbonic anhydrase 2 (P00918) · a predicted model of the same protein · chain A against A, TM-score 0.89
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P00918
- Elsewhere: RCSB PDB 6HD2 · PDBe 6HD2 · UniProt P00918
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