MolNFT v1 · #127885 · protein
Structure of adenylation domain THR1 involved in the biosynthesis of 4-chlorothreonine in streptomyces SP.OH-5093, apo structure
5N9W: “Structure of adenylation domain THR1 involved in the biosynthesis of 4-chlorothreonine in streptomyces…”. X-ray diffraction, 10 pockets (best druggability 0.82). MolNFT v1 #127885 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5N9W
- Type
- protein
- Length
- 954 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Adenylation domain
- UniProt
- H6SG27
- Pockets
- 10 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 34% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Adenylation domain | protein | 477 | 35% helix, 28% strand | H6SG27 |
| B | Adenylation domain | protein | 477 | 34% helix, 28% strand | H6SG27 |
Ligands and binding sites
- ACT · Acetate ion · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1000 | 0.82 | 0.83 | 121 | ACT |
| 2 | 897 | 0.77 | 0.80 | 94 | empty |
| 3 | 612 | 0.68 | 0.77 | 53 | empty |
| 4 | 273 | 0.56 | 0.76 | 40 | empty |
| 5 | 95 | 0.54 | 0.84 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 697 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 5N9W · Structure of adenylation domain THR1 involved in the biosynthesis of 4-chlorothreonine in… · 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 H6SG27
- Elsewhere: RCSB PDB 5N9W · PDBe 5N9W · UniProt H6SG27
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