MolNFT v1 · #84521 · protein
Murine carbonic anhydrase IV complexed with brinzolamide
3ZNC: “Murine carbonic anhydrase IV complexed with brinzolamide”. X-ray diffraction, 2 ligands (BZ1, ZN), 2 pockets (best druggability 0.55). MolNFT v1 #84521 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3ZNC
- Type
- protein
- Length
- 250 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carbonic anhydrase IV
- EC
- 4.2.1.1
- UniProt
- Q64444
- Ligands
- BZ1, ZN
- Pockets
- 2 · best druggability 0.55
Structure
x-ray diffraction · 1 distinct chain · 16% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Carbonic anhydrase IV (EC 4.2.1.1) | protein | 250 | 16% helix, 32% strand | Q64444 |
Ligands and binding sites
- BZ1 · (+)-4-ethylamino-3,4-dihydro-2-(methoxy)propyl-2H-thieno[3,2-E]-1,2-thiazine-6-sulfonamide-1,1-dioxide · ligand · chains A
- ZN · Zinc ion · metal · chains A
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 | 170 | 0.55 | 0.80 | 23 | BZ1 |
| 2 | 85 | 0.30 | 0.72 | 13 | empty |
Modifications
Observed in the structure: 2 disulfide (disulfide).
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 Q64444
- Elsewhere: RCSB PDB 3ZNC · PDBe 3ZNC · UniProt Q64444
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