MolNFT v1 · #17168 · protein
Carbonic anhydrase II complex with the 1OKL inhibitor 5- dimethylamino-naphthalene-1-sulfonamide
1OKL: “Carbonic anhydrase II complex with the 1OKL inhibitor 5- dimethylamino-naphthalene-1-sulfonamide”. X-ray diffraction, 3 ligands (MNS, HG, ZN), 1 pocket (best druggability 0.58). MolNFT v1 #17168 on GenesisL1: 3D structure, binding…
- PDB
- 1OKL
- Type
- protein
- Length
- 255 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carbonic anhydrase II
- EC
- 4.2.1.1
- UniProt
- P00918
- Ligands
- MNS, HG, ZN
- Pockets
- 1 · best druggability 0.58
Structure
x-ray diffraction · 1 distinct chain · 15% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Carbonic anhydrase II (EC 4.2.1.1) | protein | 255 | 15% helix, 30% strand | P00918 |
Ligands and binding sites
- MNS · 5-(dimethylamino)-1-naphthalenesulfonamide · ligand · chains A
- HG · Mercury (II) ion · metal · chains A
- ZN · Zinc ion · metal · 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 | 148 | 0.58 | 0.83 | 29 | MNS |
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 1OKL · PDBe 1OKL · UniProt P00918
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