MolNFT v1 · #150685 · protein
Crystal structure of sarin surrogate nimp inhibited recombinant human bile salt activated lipase
6H18 · Bile salt-activated lipase: “Crystal structure of sarin surrogate nimp inhibited recombinant human bile salt activated lipase”. X-ray diffraction, 1 ligand (ZN), 4 pockets (best druggability 0.69). MolNFT v1 #150685 on GenesisL1: 3D…
- PDB
- 6H18
- 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
- Pockets
- 4 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 37% 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 | 37% helix, 17% strand | P19835 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 590 | 0.69 | 0.78 | 60 | ZN, ACT |
| 2 | 489 | 0.63 | 0.75 | 37 | ZN, ACT |
| 3 | 59 | 0.51 | 0.86 | 20 | empty |
| 4 | 70 | 0.34 | 0.76 | 16 | empty |
Modifications
Observed in the structure: 2 disulfide, 1 modified (disulfide, nonstandard).
Compared structures
- 6H18 · Crystal structure of sarin surrogate NIMP 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 6H18 · PDBe 6H18 · UniProt P19835
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