Research workbench
Fluoroalkyl and alkyl chains have similar hydrophobicities in binding to the hydrophobic wall of carbonic anhydrase
Analyse Fluoroalkyl and alkyl chains have similar hydrophobicities in binding to the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3RZ1
- Type
- protein
- Length
- 257 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carbonic anhydrase 2
- EC
- 4.2.1.1
- UniProt
- P00918
- Ligands
- RZ1, ZN
- Pockets
- 1 · best druggability 0.55
Structure
x-ray diffraction · 1 distinct chain · 15% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Carbonic anhydrase 2 (EC 4.2.1.1) | protein | 257 | 15% helix, 32% strand | P00918 |
Ligands and binding sites
- RZ1 · N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-4-sulfamoylbenzamide · ligand · chains B
- ZN · Zinc ion · metal · chains B
- DMS · Dimethyl sulfoxide · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 122 | 0.55 | 0.83 | 26 | RZ1 |
Compared structures
- 3RZ1 · Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic… · the same entry in another collection · chain B against B, TM-score 1.00
- P00918 · AlphaFold monomer V2.0 prediction for carbonic anhydrase 2 (P00918) · a predicted model of the same protein · chain B against A, TM-score 1.00
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 3RZ1 · PDBe 3RZ1 · UniProt P00918
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