MolNFT v1 · #109814 · protein
Crystal structure of treponema pallidum TP0796 flavin trafficking PROTEIN,A bifunctional FMN TRANSFERASE/FAD pyrophosphatase, N55Y mutant, ADP bound form
4XDU · FAD:PROTEIN FMN transferase: “Crystal structure of treponema pallidum TP0796 flavin trafficking PROTEIN,A bifunctional FMN TRANSFERASE/FAD…”. X-ray diffraction, 3 ligands (ADP, MG, NA), 2 pockets (best druggability 0.74). MolNFT v1…
- PDB
- 4XDU
- Type
- protein
- Length
- 330 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- FAD:PROTEIN FMN transferase
- EC
- 2.7.1.180
- UniProt
- O83774
- Ligands
- ADP, MG, NA
- Pockets
- 2 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 33% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | FAD:PROTEIN FMN transferase (EC 2.7.1.180) | protein | 330 | 33% helix, 29% strand | O83774 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · chains A
- MG · Magnesium ion · metal · 2 copies · chains A
- NA · Sodium ion · metal · 2 copies · chains A
- EDO · 1,2-ethanediol · additive · 3 copies · chains A
- ACT · Acetate ion · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 594 | 0.74 | 0.81 | 64 | MG, NA, ADP, ACT |
| 2 | 50 | 0.28 | 0.75 | 13 | EDO |
Compared structures
- 4XDU · Crystal structure of Treponema pallidum TP0796 Flavin trafficking protein,a bifunctional… · 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 O83774
- Elsewhere: RCSB PDB 4XDU · PDBe 4XDU · UniProt O83774
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