MolNFT v1 · #152562 · protein
Crystal structure of a highly thermostable carbonic anhydrase from persephonella marina ex-H1
6IM0 · Carbonic anhydrase (carbonate dehydratase): “Crystal structure of a highly thermostable carbonic anhydrase from persephonella marina ex-H1”. X-ray diffraction, 3 ligands (BCT, CA, ZN), 19 pockets (best druggability 0.78). MolNFT v1…
- PDB
- 6IM0
- Type
- protein
- Length
- 1,332 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carbonic anhydrase (carbonate dehydratase)
- EC
- 4.2.1.1
- UniProt
- C0QRB5
- Ligands
- BCT, CA, ZN
- Pockets
- 19 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 18% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F | Carbonic anhydrase (carbonate dehydratase) (EC 4.2.1.1) | protein | 222 | 18% helix, 38% strand | C0QRB5 |
Ligands and binding sites
- BCT · Bicarbonate ion · ligand · 6 copies · chains A, B, C, D, E, F
- CA · Calcium ion · metal · 15 copies · chains A, C, D, B, F
- ZN · Zinc ion · metal · 6 copies · chains A, B, C, D, E, F
- PG4 · Tetraethylene glycol · additive · 5 copies · chains A, C, B, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
19 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 755 | 0.78 | 0.82 | 79 | PG4, CA |
| 2 | 63 | 0.75 | 1.00 | 17 | empty |
| 3 | 65 | 0.73 | 0.98 | 16 | empty |
| 4 | 55 | 0.73 | 0.99 | 15 | empty |
| 5 | 718 | 0.69 | 0.76 | 67 | empty |
Interfaces
9 interfaces between chains.
- A–B · 1044 Ų buried · 17 hydrogen bonds · protein-protein
- C–D · 1037 Ų buried · 15 hydrogen bonds · protein-protein
- E–F · 1031 Ų buried · 16 hydrogen bonds · protein-protein
- A–C · 492 Ų buried · 14 hydrogen bonds · protein-protein
- C–F · 333 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 6IM0 · Crystal structure of a highly thermostable carbonic anhydrase from Persephonella marina… · the same entry in another collection · chain A 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 C0QRB5
- Elsewhere: RCSB PDB 6IM0 · PDBe 6IM0 · UniProt C0QRB5
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.