MolNFT v1 · #95179 · protein
Crystal structure of rfua (TP0298) of T. pallidum bound to riboflavin
4IIL · Membrane lipoprotein TPN38(B): “Crystal structure of rfua (TP0298) of T. pallidum bound to riboflavin”. X-ray diffraction, 3 ligands (RBF, NA, K), 2 pockets (best druggability 0.70). MolNFT v1 #95179 on GenesisL1: 3D structure…
- PDB
- 4IIL
- Type
- protein
- Length
- 314 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Membrane lipoprotein TPN38(B)
- UniProt
- Q56328
- Ligands
- RBF, NA, K
- Pockets
- 2 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 47% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Membrane lipoprotein TPN38(B) | protein | 314 | 47% helix, 21% strand | Q56328 |
Ligands and binding sites
- RBF · Riboflavin · ligand · chains A
- NA · Sodium ion · metal · 2 copies · chains A
- K · Potassium ion · metal · chains A
- EDO · 1,2-ethanediol · 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 | 198 | 0.70 | 0.87 | 38 | RBF |
| 2 | 51 | 0.31 | 0.77 | 14 | empty |
Compared structures
- 4IIL · Crystal Structure of RfuA (TP0298) of T. pallidum Bound to Riboflavin · the same entry in another collection · chain A against A, TM-score 1.00
- Q56328 · AlphaFold monomer V2.0 prediction for ABC transporter riboflavin- binding protein rfua… · a predicted model of the same protein · 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 Q56328
- Elsewhere: RCSB PDB 4IIL · PDBe 4IIL · UniProt Q56328
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