MolNFT v1 · #176963 · protein
A [6+4]-cycloaddition adduct is the biosynthetic intermediate in streptoseomycin biosynthesis
7E36 · Alkanesulfonate monooxygenase SSUD/METHYLENE…: “A [6+4]-cycloaddition adduct is the biosynthetic intermediate in streptoseomycin biosynthesis”. X-ray diffraction, 3 ligands (MG, CL, SO4), 7 pockets (best druggability 0.78). MolNFT…
- PDB
- 7E36
- Type
- protein
- Length
- 714 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alkanesulfonate monooxygenase SSUD/METHYLENE tetrahydromethanopterin reductase-like…
- UniProt
- A0A318JWT9, A0A318JQQ2
- Ligands
- MG, CL, SO4
- Pockets
- 7 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alkanesulfonate monooxygenase SSUD/METHYLENE tetrahydromethanopterin reductase-like flavin-dependent oxidoreductase (luciferase family) | protein | 319 | 37% helix, 18% strand | A0A318JWT9 |
| B | FMN-dependent oxidoreductase (nitrilotriacetate monooxygenase family) | protein | 395 | 42% helix, 13% strand | A0A318JQQ2 |
Ligands and binding sites
- MG · Magnesium ion · metal · chains A
- CL · Chloride ion · ion · 8 copies · chains A, B
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · chains A, B
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 821 | 0.78 | 0.81 | 108 | SO4 |
| 2 | 181 | 0.61 | 0.83 | 24 | empty |
| 3 | 299 | 0.60 | 0.78 | 36 | MES |
| 4 | 212 | 0.59 | 0.80 | 30 | CL |
| 5 | 78 | 0.44 | 0.81 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 2714 Ų buried · 53 hydrogen bonds · protein-protein
Compared structures
- 7E36 · A [6+4]-cycloaddition adduct is the biosynthetic intermediate in streptoseomycin… · 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 A0A318JWT9
- Every structure of UniProt A0A318JQQ2
- Elsewhere: RCSB PDB 7E36 · PDBe 7E36 · UniProt A0A318JWT9 · UniProt A0A318JQQ2
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