MolNFT v1 · #177608 · protein
Crystal structure of iron-saturated C-terminal half of lactoferrin produced proteolytically using pepsin at 2.32A resolution
7ENU · Lactotransferrin: “Crystal structure of iron-saturated C-terminal half of lactoferrin produced proteolytically using pepsin at…”. X-ray diffraction, 5 ligands (NAG, BMA, MAN), 9 pockets (best druggability 0.72). MolNFT v1 #177608 on…
- PDB
- 7ENU
- Type
- protein
- Length
- 696 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lactotransferrin
- EC
- 3.4.21.-
- UniProt
- P24627
- Ligands
- NAG, BMA, MAN, FE, CO3
- Pockets
- 9 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Lactotransferrin (EC 3.4.21.-) | protein | 348 | 36% helix, 17% strand | P24627 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 12 copies · chains A, B
- BMA · beta-D-mannopyranose · sugar · 3 copies · chains B, A
- MAN · alpha-D-mannopyranose · sugar · 3 copies · chains B, A
- FE · Fe (III) ion · metal · 2 copies · chains A, B
- CO3 · Carbonate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 257 | 0.72 | 0.86 | 38 | empty |
| 2 | 236 | 0.69 | 0.86 | 41 | empty |
| 3 | 345 | 0.57 | 0.76 | 45 | empty |
| 4 | 188 | 0.51 | 0.77 | 32 | empty |
| 5 | 59 | 0.35 | 0.78 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 516 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 20 disulfide, 6 glycan (disulfide, N-glycosylation).
Compared structures
- 7ENU · Crystal structure of iron-saturated C-terminal half of lactoferrin produced… · 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 P24627
- Elsewhere: RCSB PDB 7ENU · PDBe 7ENU · UniProt P24627
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