MolNFT v1 · #4406 · protein
Complex between murine mitochondrial carbonic anyhdrase V and the transition state analogue acetazolamide
1DMY · Murine carbonic anhydrase V: “Complex between murine mitochondrial carbonic anyhdrase V and the transition state analogue acetazolamide”. X-ray diffraction, 2 ligands (AZM, ZN), 3 pockets (best druggability 0.64). MolNFT v1 #4406 on…
- PDB
- 1DMY
- Type
- protein
- Length
- 474 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Murine carbonic anhydrase V
- EC
- 4.2.1.1
- UniProt
- P23589
- Ligands
- AZM, ZN
- Pockets
- 3 · best druggability 0.64
Structure
x-ray diffraction · 1 distinct chain · 14% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Murine carbonic anhydrase V (EC 4.2.1.1) | protein | 237 | 14% helix, 35% strand | P23589 |
Ligands and binding sites
- AZM · 5-acetamido-1,3,4-thiadiazole-2-sulfonamide · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 386 | 0.64 | 0.78 | 35 | empty |
| 2 | 121 | 0.56 | 0.83 | 20 | AZM |
| 3 | 121 | 0.55 | 0.82 | 23 | AZM |
Interfaces
1 interface between chains.
- A–B · 290 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 1DMY · Complex between murine mitochondrial carbonic anyhdrase V and the transition state… · the same entry in another collection · chain A against A, TM-score 1.00
- P23589 · AlphaFold monomer V2.0 prediction for carbonic anhydrase 5A, mitochondrial (P23589) · a predicted model of the same protein · chain B 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 P23589
- Elsewhere: RCSB PDB 1DMY · PDBe 1DMY · UniProt P23589
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