MolNFT v1 · #63639 · protein
X ray structure of the complex between carbonic anhydrase II and lc inhibitors
3FFP · Carbonic anhydrase 2: “X ray structure of the complex between carbonic anhydrase II and lc inhibitors”. X-ray diffraction, 4 ligands (LC1, BEZ, ZN), 1 pocket (best druggability 0.57). MolNFT v1 #63639 on GenesisL1: 3D structure…
- PDB
- 3FFP
- Type
- protein
- Length
- 256 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
- LC1, BEZ, ZN, HG
- Pockets
- 1 · best druggability 0.57
Structure
x-ray diffraction · 1 distinct chain · 15% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| X | Carbonic anhydrase 2 (EC 4.2.1.1) | protein | 256 | 15% helix, 31% strand | P00918 |
Ligands and binding sites
- LC1 · 2-(1,3-thiazol-4-yl)-1H-benzimidazole-5-sulfonamide · ligand · chains X
- BEZ · Benzoic acid · ligand · chains X
- ZN · Zinc ion · metal · chains X
- HG · Mercury (II) ion · metal · chains X
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 | 166 | 0.57 | 0.81 | 28 | LC1 |
Compared structures
- 3FFP · X ray structure of the complex between carbonic anhydrase II and LC inhibitors · the same entry in another collection · chain X against X, TM-score 1.00
- P00918 · AlphaFold monomer V2.0 prediction for carbonic anhydrase 2 (P00918) · a predicted model of the same protein · chain X against A, TM-score 1.00
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 3FFP · PDBe 3FFP · UniProt P00918
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