MolNFT v1 · #185672 · protein
Structure of hedgehog acyltransferase (hhat) in complex with megabody 177 bound to imp-1575
7Q6Z · Protein-cysteine N-palmitoyltransferase hhat: “Structure of hedgehog acyltransferase (hhat) in complex with megabody 177 bound to imp-1575”. Electron microscopy, 4 ligands (CLR, HEM, 9V3), 11 pockets (best druggability 0.86). MolNFT…
- PDB
- 7Q6Z
- Type
- protein
- Length
- 597 residues
- Chains
- 2
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein-cysteine N-palmitoyltransferase hhat; Megabody 177
- EC
- 2.3.1.-
- UniProt
- Q5VTY9
- Ligands
- CLR, HEM, 9V3, PLM
- Pockets
- 11 · best druggability 0.86
Structure
electron microscopy · 2 distinct chains · 65% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein-cysteine N-palmitoyltransferase hhat (EC 2.3.1.-) | protein | 485 | 79% helix, 1% strand | Q5VTY9 |
| B | Megabody 177 | protein | 112 | 5% helix, 48% strand | — |
Ligands and binding sites
- CLR · Cholesterol · ligand · chains A
- HEM · Protoporphyrin IX containing Fe · ligand · chains A
- 9V3 · 2-(2-methylpropylamino)-1-[(4R)-4-(6-methylpyridin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone · ligand · chains A
- PLM · Palmitic acid · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 416 | 0.86 | 0.94 | 50 | 9V3 |
| 2 | 194 | 0.77 | 0.92 | 27 | PLM |
| 3 | 322 | 0.72 | 0.84 | 28 | CLR |
| 4 | 155 | 0.62 | 0.84 | 16 | empty |
| 5 | 377 | 0.58 | 0.75 | 38 | empty |
Interfaces
1 interface between chains.
- A–B · 1114 Ų buried · 14 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 7Q6Z · Structure of Hedgehog acyltransferase (HHAT) in complex with megabody 177 bound to… · the same entry in another collection · chain A against A, TM-score 1.00
- Q5VTY9 · AlphaFold monomer V2.0 prediction for protein-cysteine N-palmitoyltransferase hhat… · 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 Q5VTY9
- Elsewhere: RCSB PDB 7Q6Z · PDBe 7Q6Z · UniProt Q5VTY9
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