MolNFT v1 · #91104 · protein
Crystal structure of thermus thermophilus HB8 casa
4F3E: “Crystal structure of thermus thermophilus HB8 casa”. X-ray diffraction, 11 pockets (best druggability 0.53). MolNFT v1 #91104 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4F3E
- Type
- protein
- Length
- 946 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Casa
- UniProt
- Q53VY1
- Pockets
- 11 · best druggability 0.53
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Casa | protein | 473 | 46% helix, 18% strand | Q53VY1 |
Pockets
11 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 90 | 0.53 | 0.84 | 22 | empty |
| 2 | 215 | 0.52 | 0.77 | 25 | empty |
| 3 | 177 | 0.52 | 0.78 | 22 | empty |
| 4 | 85 | 0.51 | 0.84 | 22 | empty |
| 5 | 190 | 0.41 | 0.72 | 34 | empty |
Interfaces
1 interface between chains.
- A–B · 147 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 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 Q53VY1
- Elsewhere: RCSB PDB 4F3E · PDBe 4F3E · UniProt Q53VY1
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