Research workbench
Major mouse urinary protein IV complexed with 2-sec-butyl-4,5- dihydrothiazole
Analyse Major mouse urinary protein IV complexed with 2-sec-butyl-4,5- dihydrothiazole in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3KFF
- Type
- protein
- Length
- 152 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Major urinary protein 4
- UniProt
- P11590
- Ligands
- XBT, ZBT, CL
- Pockets
- 1 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 20% helix, 49% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Major urinary protein 4 | protein | 152 | 20% helix, 49% strand | P11590 |
Ligands and binding sites
- XBT · 2-[(1R)-1-methylpropyl]-4,5-dihydro-1,3-thiazole · ligand · chains A
- ZBT · 2-[(1S)-1-methylpropyl]-4,5-dihydro-1,3-thiazole · ligand · chains A
- CL · Chloride ion · ion · 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 | 75 | 0.77 | 0.98 | 18 | XBT, ZBT |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 3KFF · Major mouse urinary protein IV complexed with 2-sec-butyl-4,5-dihydrothiazole · the same entry in another collection · chain A against A, TM-score 1.00
- P11590 · AlphaFold monomer V2.0 prediction for major urinary protein 4 (P11590) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P11590
- Elsewhere: RCSB PDB 3KFF · PDBe 3KFF · UniProt P11590
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