MolNFT v1 · #19896 · protein
Thermodynamics of binding of 2-methoxy-3-isopropylpyrazine and 2- methoxy-3-isobutylpyrazine to the major urinary protein
1QY2: “Thermodynamics of binding of 2-methoxy-3-isopropylpyrazine and 2- methoxy-3-isobutylpyrazine to the major…”. X-ray diffraction, 3 ligands (IPZ, NA, CD), 1 pocket (best druggability 0.81). MolNFT v1 #19896 on GenesisL1: 3D structure…
- PDB
- 1QY2
- Type
- protein
- Length
- 157 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Major urinary protein
- UniProt
- P11588
- Ligands
- IPZ, NA, CD
- Pockets
- 1 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 15% helix, 47% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Major urinary protein | protein | 157 | 15% helix, 47% strand | P11588 |
Ligands and binding sites
- IPZ · 2-isopropyl-3-methoxypyrazine · ligand · chains A
- NA · Sodium ion · metal · 3 copies · chains A
- CD · Cadmium ion · metal · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 115 | 0.81 | 0.98 | 26 | IPZ |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
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 P11588
- Elsewhere: RCSB PDB 1QY2 · PDBe 1QY2 · UniProt P11588
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