MolNFT v1 · #101776 · protein
Crystal structures of two tetrameric beta-carbonic anhydrases from the filamentous ascomycete sordaria macrospora.
4O1J: “Crystal structures of two tetrameric beta-carbonic anhydrases from the filamentous ascomycete sordaria…”. X-ray diffraction, 2 ligands (ZN, CL), 3 pockets (best druggability 0.67). MolNFT v1 #101776 on GenesisL1: 3D structure…
- PDB
- 4O1J
- Type
- protein
- Length
- 393 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carbonic anhydrase
- EC
- 4.2.1.1
- UniProt
- C1L335
- Ligands
- ZN, CL
- Pockets
- 3 · best druggability 0.67
Structure
x-ray diffraction · 2 distinct chains · 52% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Carbonic anhydrase (EC 4.2.1.1) | protein | 197 | 52% helix, 18% strand | C1L335 |
| B | Carbonic anhydrase (EC 4.2.1.1) | protein | 196 | 52% helix, 18% strand | C1L335 |
Ligands and binding sites
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 | 434 | 0.67 | 0.79 | 41 | empty |
| 2 | 71 | 0.47 | 0.83 | 18 | empty |
| 3 | 55 | 0.43 | 0.83 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1008 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 4O1J · Crystal structures of two tetrameric beta-carbonic anhydrases from the filamentous… · 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 C1L335
- Elsewhere: RCSB PDB 4O1J · PDBe 4O1J · UniProt C1L335
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