MolNFT v1 · #177697 · protein
Crystal structure of the C-lobe of lactoferrin produced by limited proteolysis using pepsin at 2.74A resolution
7EQU · Lactotransferrin: “Crystal structure of the C-lobe of lactoferrin produced by limited proteolysis using pepsin at 2.74A…”. X-ray diffraction, 4 ligands (BCT, NAG, BMA), 9 pockets (best druggability 0.71). MolNFT v1 #177697 on…
- PDB
- 7EQU
- 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
- BCT, NAG, BMA, FE
- Pockets
- 9 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Lactotransferrin (EC 3.4.21.-) | protein | 348 | 34% helix, 16% strand | P24627 |
Ligands and binding sites
- BCT · Bicarbonate ion · ligand · 2 copies · chains A, B
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 12 copies · chains A, B
- BMA · beta-D-mannopyranose · sugar · 4 copies · chains A, B
- FE · Fe (III) ion · metal · 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 242 | 0.71 | 0.86 | 40 | empty |
| 2 | 211 | 0.69 | 0.87 | 37 | empty |
| 3 | 389 | 0.60 | 0.76 | 50 | empty |
| 4 | 138 | 0.47 | 0.77 | 29 | empty |
| 5 | 75 | 0.38 | 0.78 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 521 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 20 disulfide, 6 glycan (disulfide, N-glycosylation).
Compared structures
- 7EQU · Crystal structure of the C-lobe of lactoferrin produced by limited proteolysis using… · 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 7EQU · PDBe 7EQU · UniProt P24627
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