MolNFT v1 · #63585 · protein
Crystal structure of human carbonic anhydrase VI
3FE4 · Carbonic anhydrase 6: “Crystal structure of human carbonic anhydrase VI”. X-ray diffraction, 1 ligand (MG), 3 pockets (best druggability 0.80). MolNFT v1 #63585 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3FE4
- Type
- protein
- Length
- 489 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carbonic anhydrase 6
- EC
- 4.2.1.1
- UniProt
- P23280
- Ligands
- MG
- Pockets
- 3 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 17% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Carbonic anhydrase 6 (EC 4.2.1.1) | protein | 244 | 17% helix, 33% strand | P23280 |
| B | Carbonic anhydrase 6 (EC 4.2.1.1) | protein | 245 | 17% helix, 32% strand | P23280 |
Ligands and binding sites
- MG · Magnesium ion · metal · 2 copies · chains A, B
- GOL · Glycerol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 975 | 0.80 | 0.81 | 105 | MG |
| 2 | 91 | 0.37 | 0.76 | 22 | empty |
| 3 | 74 | 0.37 | 0.77 | 28 | empty |
Interfaces
1 interface between chains.
- A–B · 961 Ų buried · 13 hydrogen bonds · protein-protein
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 P23280
- Elsewhere: RCSB PDB 3FE4 · PDBe 3FE4 · UniProt P23280
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