Research workbench
Carbonic anhydrase activators. the first X-ray crystallographic study of an activator of isoform I, structure with L-histidine.
Analyse Carbonic anhydrase activators. the first X-ray crystallographic study of an… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2FW4
- Type
- protein
- Length
- 513 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carbonic anhydrase 1
- EC
- 4.2.1.1
- UniProt
- P00915
- Ligands
- HIS, ZN
- Pockets
- 4 · best druggability 0.53
Structure
x-ray diffraction · 2 distinct chains · 15% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Carbonic anhydrase 1 (EC 4.2.1.1) | protein | 257 | 16% helix, 30% strand | P00915 |
| B | Carbonic anhydrase 1 (EC 4.2.1.1) | protein | 256 | 15% helix, 31% strand | P00915 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 158 | 0.53 | 0.79 | 28 | ZN, HIS |
| 2 | 133 | 0.50 | 0.79 | 22 | HIS |
| 3 | 92 | 0.38 | 0.76 | 17 | empty |
| 4 | 64 | 0.31 | 0.75 | 15 | empty |
Compared structures
- 2FW4 · Carbonic anhydrase activators. The first X-ray crystallographic study of an activator of… · the same entry in another collection · chain A against A, TM-score 1.00
- P00915 · AlphaFold monomer V2.0 prediction for carbonic anhydrase 1 (P00915) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P00915
- Elsewhere: RCSB PDB 2FW4 · PDBe 2FW4 · UniProt P00915
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