MolNFT v1 · #128563 · protein
Engineered beta-lactoglobulin: variant I56F-L39A-M107F in complex with chlorpromazine (lg-faf-clp)
5NUK: “Engineered beta-lactoglobulin: variant I56F-L39A-M107F in complex with chlorpromazine (lg-faf-clp)”. X-ray diffraction, 4 ligands (Z80, SO4, PO4), 2 pockets (best druggability 0.59). MolNFT v1 #128563 on GenesisL1: 3D structure…
- PDB
- 5NUK
- Type
- protein
- Length
- 155 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-lactoglobulin
- UniProt
- P02754
- Ligands
- Z80, SO4, PO4, CL
- Pockets
- 2 · best druggability 0.59
Structure
x-ray diffraction · 1 distinct chain · 17% helix, 43% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-lactoglobulin | protein | 155 | 17% helix, 43% strand | P02754 |
Ligands and binding sites
- Z80 · 3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine · ligand · chains A
- SO4 · Sulfate ion · ion · chains A
- PO4 · Phosphate ion · ion · chains A
- CL · Chloride ion · ion · chains A
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 216 | 0.59 | 0.80 | 25 | Z80 |
| 2 | 54 | 0.31 | 0.76 | 14 | empty |
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 5NUK · Engineered beta-lactoglobulin: variant I56F-L39A-M107F in complex with chlorpromazine… · 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 P02754
- Elsewhere: RCSB PDB 5NUK · PDBe 5NUK · UniProt P02754
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