Research workbench
Phosphopantothenoylcysteine synthetase from E. COLI, cmp complex
Analyse Phosphopantothenoylcysteine synthetase from E. COLI, cmp complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1U80
- Type
- protein
- Length
- 651 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Coenzyme a biosynthesis bifunctional protein coabc
- EC
- 6.3.2.5
- UniProt
- P0ABQ0
- Ligands
- C5P, PO4
- Pockets
- 6 · best druggability 0.80
Structure
x-ray diffraction · 3 distinct chains · 29% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Coenzyme a biosynthesis bifunctional protein coabc (EC 6.3.2.5) | protein | 217 | 29% helix, 32% strand | P0ABQ0 |
| B | Coenzyme a biosynthesis bifunctional protein coabc (EC 6.3.2.5) | protein | 218 | 29% helix, 32% strand | P0ABQ0 |
| C | Coenzyme a biosynthesis bifunctional protein coabc (EC 6.3.2.5) | protein | 216 | 30% helix, 30% strand | P0ABQ0 |
Ligands and binding sites
- C5P · Cytidine-5'-monophosphate · ligand · 3 copies · chains A, B, C
- PO4 · Phosphate ion · ion · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 939 | 0.80 | 0.82 | 91 | PO4, C5P |
| 2 | 410 | 0.78 | 0.87 | 55 | PO4, C5P |
| 3 | 298 | 0.70 | 0.84 | 41 | PO4, C5P |
| 4 | 251 | 0.56 | 0.78 | 28 | empty |
| 5 | 130 | 0.40 | 0.75 | 17 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1490 Ų buried · 22 hydrogen bonds · protein-protein
- B–C · 243 Ų buried · 0 hydrogen bonds · protein-protein
- A–C · 79 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 1U80 · Phosphopantothenoylcysteine synthetase from E. coli, CMP complex · the same entry in another collection · chain A against A, TM-score 1.00
- P0ABQ0 · AlphaFold monomer V2.0 prediction for coenzyme a biosynthesis bifunctional protein coabc… · 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 P0ABQ0
- Elsewhere: RCSB PDB 1U80 · PDBe 1U80 · UniProt P0ABQ0
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