Research workbench
Structure of the phosphopantetheine transferase sfp in complex with coenzyme a and a peptidyl carrier protein
Analyse Structure of the phosphopantetheine transferase sfp in complex with coenzyme a… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4MRT
- Type
- protein
- Length
- 302 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tyrocidine synthase 3; 4'-phosphopantetheinyl transferase sfp
- EC
- 2.7.8.-
- UniProt
- O30409, P39135
- Ligands
- COA, MG, SO4
- Pockets
- 3 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| C | Tyrocidine synthase 3 | protein | 77 | 57% helix, 0% strand | O30409 |
| A | 4'-phosphopantetheinyl transferase sfp (EC 2.7.8.-) | protein | 225 | 39% helix, 24% strand | P39135 |
Ligands and binding sites
- COA · Coenzyme A · ligand · chains C, A
- MG · Magnesium ion · metal · 2 copies · chains A
- SO4 · Sulfate ion · ion · chains A
- GOL · Glycerol · additive · 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 | 847 | 0.77 | 0.80 | 70 | MG, COA, GOL |
| 2 | 106 | 0.42 | 0.77 | 18 | empty |
| 3 | 56 | 0.29 | 0.75 | 15 | SO4 |
Interfaces
1 interface between chains.
- C–A · 774 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 4MRT · Structure of the Phosphopantetheine Transferase Sfp in Complex with Coenzyme A and a… · the same entry in another collection · chain C against C, TM-score 1.00
- P39135 · AlphaFold monomer V2.0 prediction for 4'-phosphopantetheinyl transferase sfp (P39135) · 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 O30409
- Every structure of UniProt P39135
- Elsewhere: RCSB PDB 4MRT · PDBe 4MRT · UniProt O30409 · UniProt P39135
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