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The X-ray crystal structure of ABSH3, an FAD dependent reductase from the abyssomicin biosynthesis pathway in streptomyces
Analyse The X-ray crystal structure of ABSH3, an FAD dependent reductase from the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6N04
- Type
- protein
- Length
- 731 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ABSH3
- UniProt
- A0A1V0QH64
- Ligands
- FAD, CL
- Pockets
- 5 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ABSH3 | protein | 365 | 42% helix, 24% strand | A0A1V0QH64 |
| B | ABSH3 | protein | 366 | 40% helix, 23% strand | A0A1V0QH64 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
- CL · Chloride ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 955 | 0.80 | 0.82 | 82 | FAD |
| 2 | 1081 | 0.79 | 0.80 | 85 | FAD |
| 3 | 833 | 0.75 | 0.79 | 71 | empty |
| 4 | 57 | 0.51 | 0.87 | 21 | empty |
| 5 | 53 | 0.45 | 0.84 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 385 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 6N04 · The X-ray crystal structure of AbsH3, an FAD dependent reductase from the Abyssomicin… · 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 A0A1V0QH64
- Elsewhere: RCSB PDB 6N04 · PDBe 6N04 · UniProt A0A1V0QH64
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