MolNFT v1 · #108213 · protein
Structural and functional characterization of a novel monotreme- specific protein from the milk of the platypus
4V00 · Monotreme lactating protein: “Structural and functional characterization of a novel monotreme- specific protein from the milk of the…”. X-ray diffraction, 1 ligand (NAG), 10 pockets (best druggability 0.77). MolNFT v1 #108213 on…
- PDB
- 4V00
- Type
- protein
- Length
- 688 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Monotreme lactating protein
- UniProt
- F6UME2
- Ligands
- NAG
- Pockets
- 10 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 57% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Monotreme lactating protein | protein | 343 | 57% helix, 4% strand | F6UME2 |
| B | Monotreme lactating protein | protein | 345 | 57% helix, 4% strand | F6UME2 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A, B
- GOL · Glycerol · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 86 | 0.77 | 0.98 | 19 | empty |
| 2 | 71 | 0.76 | 0.98 | 18 | empty |
| 3 | 149 | 0.46 | 0.76 | 25 | empty |
| 4 | 97 | 0.44 | 0.78 | 14 | empty |
| 5 | 137 | 0.44 | 0.76 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 503 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 5 disulfide, 2 glycan (disulfide, N-glycosylation).
Compared structures
- 4V00 · Structural and functional characterization of a novel monotreme- specific protein from… · 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 F6UME2
- Elsewhere: RCSB PDB 4V00 · PDBe 4V00 · UniProt F6UME2
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