Research workbench
Structure of hedgehog acyltransferase (hhat) in complex with megabody 177 bound to non-hydrolysable palmitoyl-CoA (composite MAP)
Analyse Structure of hedgehog acyltransferase (hhat) in complex with megabody 177 bound… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7Q1U
- Type
- protein
- Length
- 1,357 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
- PLM, CLR, HEM, HD6, MG
- Pockets
- 11 · best druggability 0.89
Structure
electron microscopy · 2 distinct chains · 48% helix, 17% 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 | 872 | 30% helix, 26% strand | — |
Ligands and binding sites
- PLM · Palmitic acid · ligand · 2 copies · chains A
- CLR · Cholesterol · ligand · chains A
- HEM · Protoporphyrin IX containing Fe · ligand · chains A
- HD6 · [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{S})-4-[[3-(2-hexadecylsulfanylethylamino)-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate · ligand · chains A
- MG · Magnesium ion · metal · 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 | 690 | 0.89 | 0.93 | 83 | HD6, MG, PLM |
| 2 | 317 | 0.74 | 0.85 | 28 | CLR |
| 3 | 481 | 0.65 | 0.77 | 48 | PLM |
| 4 | 396 | 0.62 | 0.77 | 40 | empty |
| 5 | 338 | 0.59 | 0.77 | 44 | empty |
Interfaces
1 interface between chains.
- A–B · 1048 Ų buried · 20 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide, 1 modified (disulfide, nonstandard).
Compared structures
- 7Q1U · 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 7Q1U · PDBe 7Q1U · UniProt Q5VTY9
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.