Research workbench
X-ray crystal structure of copper-bound F93S/F95L/W97M carbonic anhydrase (caii) variant
Analyse X-ray crystal structure of copper-bound F93S/F95L/W97M carbonic anhydrase… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1FSR
- Type
- protein
- Length
- 516 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carbonic anhydrase II
- EC
- 4.2.1.1
- UniProt
- P00918
- Ligands
- CU
- Pockets
- 4 · best druggability 0.49
Structure
x-ray diffraction · 1 distinct chain · 14% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Carbonic anhydrase II (EC 4.2.1.1) | protein | 258 | 14% helix, 29% strand | P00918 |
Ligands and binding sites
- CU · Copper (II) ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 133 | 0.49 | 0.78 | 23 | empty |
| 2 | 145 | 0.48 | 0.77 | 23 | empty |
| 3 | 70 | 0.33 | 0.75 | 15 | empty |
| 4 | 69 | 0.30 | 0.74 | 15 | empty |
Compared structures
- 1FSR · X-ray crystal structure of copper-bound F93S/F95L/W97M carbonic anhydrase (caii) variant · 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 0.99
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 P00918
- Elsewhere: RCSB PDB 1FSR · PDBe 1FSR · UniProt P00918
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