MolNFT v1 · #71161 · protein
Fragment tethered to carbonic anhydrase II H64C mutant
3M5T · Carbonic anhydrase 2: “Fragment tethered to carbonic anhydrase II H64C mutant”. X-ray diffraction, 3 ligands (BFG, ZN, CO3), 1 pocket (best druggability 0.54). MolNFT v1 #71161 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 3M5T
- 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
- BFG, ZN, CO3
- Pockets
- 1 · best druggability 0.54
Structure
x-ray diffraction · 1 distinct chain · 16% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Carbonic anhydrase 2 (EC 4.2.1.1) | protein | 257 | 16% helix, 30% strand | P00918 |
Ligands and binding sites
- BFG · 3,3-diphenyl-N-(2-sulfanylethyl)propanamide · ligand · chains A
- ZN · Zinc ion · metal · chains A
- CO3 · Carbonate ion · ion · chains A
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 | 150 | 0.54 | 0.80 | 26 | BFG, CO3 |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
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 3M5T · PDBe 3M5T · UniProt P00918
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