MolNFT v1 · #72684 · protein
Crystal structure of nitrilotriacetate monooxygenase component B (A0R521 homolog) from mycobacterium thermoresistibile
3NFW · Flavin reductase-like, FMN-binding protein: “Crystal structure of nitrilotriacetate monooxygenase component B (A0R521 homolog) from mycobacterium…”. X-ray diffraction, 11 pockets (best druggability 0.72). MolNFT v1 #72684 on…
- PDB
- 3NFW
- Type
- protein
- Length
- 724 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Flavin reductase-like, FMN-binding protein
- UniProt
- G7CEX2
- Pockets
- 11 · best druggability 0.72
Structure
x-ray diffraction · 3 distinct chains · 20% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Flavin reductase-like, FMN-binding protein | protein | 179 | 21% helix, 41% strand | G7CEX2 |
| B, D | Flavin reductase-like, FMN-binding protein | protein | 182 | 18% helix, 41% strand | G7CEX2 |
| C | Flavin reductase-like, FMN-binding protein | protein | 181 | 21% helix, 41% strand | G7CEX2 |
Ligands and binding sites
- GOL · Glycerol · additive · chains D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 67 | 0.72 | 0.97 | 20 | empty |
| 2 | 68 | 0.72 | 0.97 | 27 | empty |
| 3 | 67 | 0.71 | 0.97 | 25 | empty |
| 4 | 60 | 0.70 | 0.97 | 22 | empty |
| 5 | 511 | 0.66 | 0.77 | 49 | empty |
Interfaces
4 interfaces between chains.
- A–B · 4481 Ų buried · 53 hydrogen bonds · protein-protein
- C–D · 4437 Ų buried · 51 hydrogen bonds · protein-protein
- A–C · 241 Ų buried · 2 hydrogen bonds · protein-protein
- A–D · 167 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 3NFW · Crystal structure of nitrilotriacetate monooxygenase component B (A0R521 homolog) from… · 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 G7CEX2
- Elsewhere: RCSB PDB 3NFW · PDBe 3NFW · UniProt G7CEX2
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