MolNFT v1 · #129317 · protein
Metalacarborane inhibitors of carbonic anhydrase IX
5OGN · Carbonic anhydrase 2: “Metalacarborane inhibitors of carbonic anhydrase IX”. X-ray diffraction, 2 ligands (B8B, ZN), 2 pockets (best druggability 0.86). MolNFT v1 #129317 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5OGN
- Type
- protein
- Length
- 517 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
- P00918
- Ligands
- B8B, ZN
- Pockets
- 2 · best druggability 0.86
Structure
x-ray diffraction · 2 distinct chains · 15% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Carbonic anhydrase 2 (EC 4.2.1.1) | protein | 259 | 15% helix, 30% strand | P00918 |
| B | Carbonic anhydrase 2 (EC 4.2.1.1) | protein | 258 | 15% helix, 31% strand | P00918 |
Ligands and binding sites
- B8B · cobaltcarborane · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1146 | 0.86 | 0.87 | 107 | B8B |
| 2 | 51 | 0.28 | 0.75 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 958 Ų buried · 10 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 P00918
- Elsewhere: RCSB PDB 5OGN · PDBe 5OGN · UniProt P00918
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.