MolNFT v1 · #188957 · protein
Human porcn in complex with LGK974
7URC · Isoform 2 of protein-serine O-palmitoleoyltransferase…: “Human porcn in complex with LGK974”. Electron microscopy, 4 ligands (CLR, O50, AJP), 8 pockets (best druggability 0.77). MolNFT v1 #188957 on GenesisL1: 3D structure, binding…
- PDB
- 7URC
- Type
- protein
- Length
- 658 residues
- Chains
- 3
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Isoform 2 of protein-serine O-palmitoleoyltransferase porcupine; 2C11 light chain; 2C11…
- EC
- 2.3.1.250
- UniProt
- Q9H237
- Ligands
- CLR, O50, AJP, ZN
- Pockets
- 8 · best druggability 0.77
Structure
electron microscopy · 3 distinct chains · 47% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Isoform 2 of protein-serine O-palmitoleoyltransferase porcupine (EC 2.3.1.250) | protein | 432 | 70% helix, 2% strand | Q9H237 |
| L | 2C11 light chain | protein | 107 | 0% helix, 47% strand | — |
| H | 2C11 heavy chain | protein | 119 | 5% helix, 49% strand | — |
Ligands and binding sites
- CLR · Cholesterol · ligand · 9 copies · chains A
- O50 · 2-[(2P)-2',3-dimethyl[2,4'-bipyridin]-5-yl]-N-[(5P)-5-(pyrazin-2-yl)pyridin-2-yl]acetamide · ligand · chains A
- AJP · Digitonin · ligand · chains A, H
- ZN · Zinc ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 871 | 0.77 | 0.80 | 70 | O50 |
| 2 | 215 | 0.55 | 0.78 | 26 | AJP |
| 3 | 268 | 0.51 | 0.75 | 27 | empty |
| 4 | 101 | 0.35 | 0.74 | 24 | empty |
| 5 | 95 | 0.35 | 0.74 | 27 | empty |
Interfaces
3 interfaces between chains.
- L–H · 844 Ų buried · 8 hydrogen bonds · protein-protein
- A–H · 641 Ų buried · 10 hydrogen bonds · protein-protein
- A–L · 497 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
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 Q9H237
- Elsewhere: RCSB PDB 7URC · PDBe 7URC · UniProt Q9H237
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