Research workbench
Crystal structure of the curacin biosynthetic pathway hmg synthase in complex with holo donor-acp
Analyse Crystal structure of the curacin biosynthetic pathway hmg synthase in complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5KP7
- Type
- protein
- Length
- 489 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Curd; Curb
- EC
- 2.3.3.10
- UniProt
- F4Y432, Q6DNF1
- Ligands
- PNS, SO4
- Pockets
- 3 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 45% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Curd (EC 2.3.3.10) | protein | 410 | 42% helix, 24% strand | F4Y432 |
| B | Curb | protein | 79 | 59% helix, 0% strand | Q6DNF1 |
Ligands and binding sites
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 | 710 | 0.79 | 0.83 | 84 | PNS |
| 2 | 121 | 0.47 | 0.79 | 19 | empty |
| 3 | 112 | 0.43 | 0.77 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 779 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 cofactor (phosphopantetheinylation).
Compared structures
- 5KP7 · Crystal Structure of the Curacin Biosynthetic Pathway HMG Synthase in Complex with Holo… · 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 F4Y432
- Every structure of UniProt Q6DNF1
- Elsewhere: RCSB PDB 5KP7 · PDBe 5KP7 · UniProt F4Y432 · UniProt Q6DNF1
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