MolNFT v1 · #115808 · protein
Structure of rhodopseudomonas palustris pdul - CoA bound form
5CUO · Phosphate propanoyltransferase: “Structure of rhodopseudomonas palustris pdul - CoA bound form”. X-ray diffraction, 2 ligands (COA, ZN), 4 pockets (best druggability 0.72). MolNFT v1 #115808 on GenesisL1: 3D structure, binding sites…
- PDB
- 5CUO
- Type
- protein
- Length
- 377 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphate propanoyltransferase
- EC
- 2.3.1.222
- UniProt
- Q21A54
- Ligands
- COA, ZN
- Pockets
- 4 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 14% helix, 43% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphate propanoyltransferase (EC 2.3.1.222) | protein | 188 | 14% helix, 42% strand | Q21A54 |
| B | Phosphate propanoyltransferase (EC 2.3.1.222) | protein | 189 | 14% helix, 43% strand | Q21A54 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 54 | 0.72 | 0.99 | 19 | empty |
| 2 | 655 | 0.68 | 0.77 | 88 | COA, ZN |
| 3 | 306 | 0.64 | 0.80 | 45 | COA, ZN |
| 4 | 58 | 0.31 | 0.75 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 924 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 5CUO · Structure of Rhodopseudomonas palustris PduL - CoA bound form · 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 Q21A54
- Elsewhere: RCSB PDB 5CUO · PDBe 5CUO · UniProt Q21A54
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