MolNFT v1 · #171525 · protein
Outer membrane foxa in complex with nocardamine
6Z8A · Ferrioxamine receptor foxa: “Outer membrane foxa in complex with nocardamine”. X-ray diffraction, 3 ligands (6L0, FE, SO4), 5 pockets (best druggability 0.81). MolNFT v1 #171525 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 6Z8A
- Type
- protein
- Length
- 677 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ferrioxamine receptor foxa
- UniProt
- Q9I116
- Ligands
- 6L0, FE, SO4
- Pockets
- 5 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 4% helix, 56% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ferrioxamine receptor foxa | protein | 677 | 4% helix, 56% strand | Q9I116 |
Ligands and binding sites
- 6L0 · (8E)-6,17,28-trihydroxy-1,6,12,17,23,28-hexaazacyclotritriacont-8-ene-2,5,13,16,24,27-hexone · ligand · chains A
- FE · Fe (III) ion · metal · chains A
- SO4 · Sulfate ion · ion · 3 copies · chains A
- DMS · Dimethyl sulfoxide · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 165 | 0.81 | 0.97 | 36 | empty |
| 2 | 878 | 0.77 | 0.80 | 76 | 6L0, FE |
| 3 | 80 | 0.76 | 0.98 | 24 | empty |
| 4 | 810 | 0.75 | 0.80 | 97 | SO4 |
| 5 | 91 | 0.74 | 0.97 | 28 | empty |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 6Z8A · Outer membrane FoxA in complex with nocardamine · 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 Q9I116
- Elsewhere: RCSB PDB 6Z8A · PDBe 6Z8A · UniProt Q9I116
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