MolNFT v1 · #119101 · protein
The fhud protein from S.PSEUDINTERMEDIUS
5FLY · Ferrichrome ABC transporter substrate-binding protein: “The fhud protein from S.PSEUDINTERMEDIUS”. X-ray diffraction, 3 ligands (7PG, CD, CL), 6 pockets (best druggability 0.72). MolNFT v1 #119101 on GenesisL1: 3D structure, binding…
- PDB
- 5FLY
- Type
- protein
- Length
- 556 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ferrichrome ABC transporter substrate-binding protein
- UniProt
- A0A2P5JFB2
- Ligands
- 7PG, CD, CL
- Pockets
- 6 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 46% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ferrichrome ABC transporter substrate-binding protein | protein | 279 | 46% helix, 23% strand | A0A2P5JFB2 |
| B | Ferrichrome ABC transporter substrate-binding protein | protein | 277 | 46% helix, 22% strand | A0A2P5JFB2 |
Ligands and binding sites
- 7PG · 2,5,8,11,14,17,20,23-octaoxapentacosan-25-ol · ligand · 2 copies · chains A, B
- CD · Cadmium ion · metal · 9 copies · chains A, B
- CL · Chloride ion · ion · 16 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 841 | 0.72 | 0.77 | 74 | CL |
| 2 | 236 | 0.53 | 0.76 | 23 | 7PG |
| 3 | 209 | 0.51 | 0.76 | 22 | 7PG |
| 4 | 82 | 0.33 | 0.74 | 25 | empty |
| 5 | 72 | 0.31 | 0.74 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 342 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 5FLY · The FhuD protein from S.pseudintermedius · 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 A0A2P5JFB2
- Elsewhere: RCSB PDB 5FLY · PDBe 5FLY · UniProt A0A2P5JFB2
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