MolNFT v1 · #100803 · protein
E249A mutant, ripa structure
4N8K · Putative 4-hydroxybutyrate coenzyme a transferase: “E249A mutant, ripa structure”. X-ray diffraction, 6 pockets (best druggability 0.76). MolNFT v1 #100803 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4N8K
- Type
- protein
- Length
- 880 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative 4-hydroxybutyrate coenzyme a transferase
- UniProt
- Q9ZC36
- Pockets
- 6 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Putative 4-hydroxybutyrate coenzyme a transferase | protein | 440 | 34% helix, 20% strand | Q9ZC36 |
Pockets
6 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 164 | 0.76 | 0.93 | 47 | empty |
| 2 | 591 | 0.74 | 0.81 | 69 | empty |
| 3 | 590 | 0.72 | 0.80 | 70 | empty |
| 4 | 405 | 0.67 | 0.80 | 41 | empty |
| 5 | 90 | 0.57 | 0.86 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 1968 Ų buried · 33 hydrogen bonds · protein-protein
Compared structures
- 4N8K · E249A mutant, RipA structure · 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 Q9ZC36
- Elsewhere: RCSB PDB 4N8K · PDBe 4N8K · UniProt Q9ZC36
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