MolNFT v1 · #173709 · protein
Notum-fragment 199
7B8O · Palmitoleoyl-protein carboxylesterase notum: “Notum-fragment 199”. X-ray diffraction, 3 ligands (T1W, NAG, SO4), 3 pockets (best druggability 0.71). MolNFT v1 #173709 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7B8O
- Type
- protein
- Length
- 340 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
- T1W, NAG, SO4
- Pockets
- 3 · best druggability 0.71
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 | 340 | 34% helix, 18% strand | Q6P988 |
Ligands and binding sites
- T1W · [(2~{S})-2-methylpiperidin-1-yl]-morpholin-4-yl-methanone · ligand · chains A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains A
- SO4 · Sulfate ion · ion · 7 copies · chains A
- EDO · 1,2-ethanediol · additive · 4 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 207 | 0.71 | 0.87 | 25 | T1W |
| 2 | 58 | 0.33 | 0.77 | 11 | empty |
| 3 | 67 | 0.33 | 0.76 | 17 | SO4 |
Modifications
Observed in the structure: 6 disulfide, 1 glycan (disulfide, N-glycosylation).
Compared structures
- 7B8O · Notum-Fragment 199 · 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 7B8O · PDBe 7B8O · UniProt Q6P988
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