MolNFT v1 · #150686 · protein
Crystal structure of ethyl-paraoxon inhibited recombinant human bile salt activated lipase (aged form)
6H19 · Bile salt-activated lipase: “Crystal structure of ethyl-paraoxon inhibited recombinant human bile salt activated lipase (aged form)”. X-ray diffraction, 2 ligands (ZN, NA), 4 pockets (best druggability 0.73). MolNFT v1 #150686 on…
- PDB
- 6H19
- Type
- protein
- Length
- 523 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bile salt-activated lipase
- EC
- 3.1.1.13, 3.1.1.3
- UniProt
- P19835
- Ligands
- ZN, NA
- Pockets
- 4 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bile salt-activated lipase (EC 3.1.1.13, 3.1.1.3) | protein | 523 | 38% helix, 17% strand | P19835 |
Ligands and binding sites
- ZN · Zinc ion · metal · 10 copies · chains A
- NA · Sodium ion · metal · chains A
- ACT · Acetate ion · additive · 7 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 646 | 0.73 | 0.80 | 66 | ZN, ACT |
| 2 | 501 | 0.64 | 0.76 | 38 | ZN, ACT |
| 3 | 96 | 0.50 | 0.82 | 25 | empty |
| 4 | 69 | 0.36 | 0.77 | 19 | empty |
Modifications
Observed in the structure: 2 disulfide, 1 modified (disulfide, nonstandard).
Compared structures
- 6H19 · Crystal structure of ethyl-paraoxon inhibited recombinant human bile salt activated… · the same entry in another collection · chain A against A, TM-score 1.00
- P19835 · AlphaFold monomer V2.0 prediction for bile salt-activated lipase (P19835) · 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 P19835
- Elsewhere: RCSB PDB 6H19 · PDBe 6H19 · UniProt P19835
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