MolNFT v1 · #71386 · protein
Crystal structure of putative monooxygenase (FN1347) from fusobacterium nucleatum subsp. nucleatum atcc 25586 at 2.55 a resolution
3MCS: “Crystal structure of putative monooxygenase (FN1347) from fusobacterium nucleatum subsp. nucleatum atcc 25586…”. X-ray diffraction, 6 pockets (best druggability 0.70). MolNFT v1 #71386 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3MCS
- Type
- protein
- Length
- 435 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative monooxygenase
- UniProt
- Q8RDZ4
- Pockets
- 6 · best druggability 0.70
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative monooxygenase | protein | 217 | 39% helix, 42% strand | Q8RDZ4 |
| B | Putative monooxygenase | protein | 218 | 38% helix, 40% strand | Q8RDZ4 |
Ligands and binding sites
- ACT · Acetate ion · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 639 | 0.70 | 0.78 | 60 | empty |
| 2 | 340 | 0.61 | 0.78 | 41 | empty |
| 3 | 53 | 0.61 | 0.92 | 19 | ACT |
| 4 | 59 | 0.59 | 0.91 | 18 | ACT |
| 5 | 139 | 0.43 | 0.75 | 25 | empty |
Interfaces
1 interface between chains.
- A–B · 1002 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 modified (engineered).
Compared structures
- 3MCS · Crystal structure of Putative monooxygenase (FN1347) from FUSOBACTERIUM NUCLEATUM SUBSP.… · 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 Q8RDZ4
- Elsewhere: RCSB PDB 3MCS · PDBe 3MCS · UniProt Q8RDZ4
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