MolNFT v1 · #61987 · protein
H. influenzae beta-carbonic anhydrase, variant W39F
3E24 · Carbonic anhydrase 2: “H. influenzae beta-carbonic anhydrase, variant W39F”. X-ray diffraction, 2 ligands (ZN, PO4), 5 pockets (best druggability 0.76). MolNFT v1 #61987 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3E24
- Type
- protein
- Length
- 368 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carbonic anhydrase 2
- EC
- 4.2.1.1
- UniProt
- P45148
- Ligands
- ZN, PO4
- Pockets
- 5 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 49% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Carbonic anhydrase 2 (EC 4.2.1.1) | protein | 186 | 48% helix, 19% strand | P45148 |
| B | Carbonic anhydrase 2 (EC 4.2.1.1) | protein | 182 | 49% helix, 19% strand | P45148 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 431 | 0.76 | 0.85 | 69 | PO4 |
| 2 | 82 | 0.37 | 0.76 | 14 | empty |
| 3 | 100 | 0.36 | 0.74 | 19 | empty |
| 4 | 57 | 0.32 | 0.76 | 12 | empty |
| 5 | 62 | 0.31 | 0.75 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 974 Ų buried · 20 hydrogen bonds · protein-protein
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 P45148
- Elsewhere: RCSB PDB 3E24 · PDBe 3E24 · UniProt P45148
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