MolNFT v1 · #94539 · protein
The structure of the bifunctional ACETYLTRANSFERASE/DECARBOXYLASE lnmk from the leinamycin biosynthetic pathway revealing novel activity for a double hot dog fold
4HZP · Bifunctional methylmalonyl-COA:ACP…: “The structure of the bifunctional ACETYLTRANSFERASE/DECARBOXYLASE lnmk from the leinamycin biosynthetic…”. X-ray diffraction, 3 ligands (COA, SO4, CL), 3 pockets (best druggability 0.66). MolNFT…
- PDB
- 4HZP
- Type
- protein
- Length
- 298 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bifunctional methylmalonyl-COA:ACP ACYLTRANSFERASE/DECARBOXYLASE
- UniProt
- Q8GGP1
- Ligands
- COA, SO4, CL
- Pockets
- 3 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 23% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bifunctional methylmalonyl-COA:ACP ACYLTRANSFERASE/DECARBOXYLASE | protein | 298 | 23% helix, 34% strand | Q8GGP1 |
Ligands and binding sites
- COA · Coenzyme A · ligand · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A
- CL · Chloride ion · ion · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 233 | 0.66 | 0.83 | 35 | empty |
| 2 | 260 | 0.64 | 0.81 | 37 | COA, CL |
| 3 | 95 | 0.32 | 0.72 | 24 | SO4 |
Compared structures
- 4HZP · The Structure of the Bifunctional Acetyltransferase/Decarboxylase LnmK from the… · 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 Q8GGP1
- Elsewhere: RCSB PDB 4HZP · PDBe 4HZP · UniProt Q8GGP1
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