MolNFT v1 · #173706 · protein
Notum-fragment 174
7B8L · Palmitoleoyl-protein carboxylesterase notum: “Notum-fragment 174”. X-ray diffraction, 3 ligands (AY4, NAG, SO4), 4 pockets (best druggability 0.69). MolNFT v1 #173706 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7B8L
- Type
- protein
- Length
- 346 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Palmitoleoyl-protein carboxylesterase notum
- EC
- 3.1.1.98
- UniProt
- Q6P988
- Ligands
- AY4, NAG, SO4
- Pockets
- 4 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Palmitoleoyl-protein carboxylesterase notum (EC 3.1.1.98) | protein | 346 | 34% helix, 18% strand | Q6P988 |
Ligands and binding sites
- AY4 · 2,4-bis(fluoranyl)-6-(1~{H}-pyrazol-3-yl)phenol · ligand · chains A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains A
- SO4 · Sulfate ion · ion · 6 copies · chains A
- EDO · 1,2-ethanediol · additive · 3 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 110 | 0.69 | 0.91 | 21 | EDO, AY4 |
| 2 | 94 | 0.37 | 0.75 | 19 | empty |
| 3 | 58 | 0.33 | 0.76 | 10 | empty |
| 4 | 53 | 0.32 | 0.77 | 16 | empty |
Modifications
Observed in the structure: 6 disulfide, 1 glycan (disulfide, N-glycosylation).
Compared structures
- 7B8L · Notum-Fragment 174 · 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 Q6P988
- Elsewhere: RCSB PDB 7B8L · PDBe 7B8L · UniProt Q6P988
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