Research workbench
Crystal structure of ywfh, NADPH dependent reductase involved in bacilysin biosynthesis
Analyse Crystal structure of ywfh, NADPH dependent reductase involved in bacilysin… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3U49
- Type
- protein
- Length
- 994 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bacilysin biosynthesis oxidoreductase ywfh
- UniProt
- P39644
- Pockets
- 12 · best druggability 0.71
Structure
x-ray diffraction · 4 distinct chains · 49% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bacilysin biosynthesis oxidoreductase ywfh | protein | 249 | 51% helix, 16% strand | P39644 |
| B | Bacilysin biosynthesis oxidoreductase ywfh | protein | 251 | 50% helix, 16% strand | P39644 |
| C | Bacilysin biosynthesis oxidoreductase ywfh | protein | 252 | 46% helix, 16% strand | P39644 |
| D | Bacilysin biosynthesis oxidoreductase ywfh | protein | 242 | 49% helix, 16% strand | P39644 |
Pockets
12 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 175 | 0.71 | 0.89 | 35 | empty |
| 2 | 193 | 0.69 | 0.88 | 36 | empty |
| 3 | 257 | 0.68 | 0.84 | 41 | empty |
| 4 | 162 | 0.68 | 0.88 | 33 | empty |
| 5 | 609 | 0.63 | 0.74 | 67 | empty |
Interfaces
6 interfaces between chains.
- B–D · 1403 Ų buried · 9 hydrogen bonds · protein-protein
- A–C · 1385 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 981 Ų buried · 18 hydrogen bonds · protein-protein
- C–D · 943 Ų buried · 9 hydrogen bonds · protein-protein
- A–D · 25 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 3U49 · Crystal structure of YwfH, NADPH dependent reductase involved in Bacilysin biosynthesis · the same entry in another collection · chain D against D, TM-score 1.00
- P39644 · AlphaFold monomer V2.0 prediction for NADPH-dependent reductase bacg (P39644) · a predicted model of the same protein · chain D against A, TM-score 0.92
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 P39644
- Elsewhere: RCSB PDB 3U49 · PDBe 3U49 · UniProt P39644
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