Research workbench
Phosphopantothenoylcysteine synthetase from E. COLI, 4'- phosphopantothenoyl-cmp complex
Analyse Phosphopantothenoylcysteine synthetase from E. COLI, 4'… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1U7Z
- Type
- protein
- Length
- 653 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
- PMT
- Pockets
- 7 · best druggability 0.78
Structure
x-ray diffraction · 3 distinct chains · 29% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Coenzyme a biosynthesis bifunctional protein coabc (EC 6.3.2.5) | protein | 216 | 30% helix, 34% strand | P0ABQ0 |
| B | Coenzyme a biosynthesis bifunctional protein coabc (EC 6.3.2.5) | protein | 218 | 28% helix, 33% strand | P0ABQ0 |
| C | Coenzyme a biosynthesis bifunctional protein coabc (EC 6.3.2.5) | protein | 219 | 28% helix, 30% strand | P0ABQ0 |
Ligands and binding sites
- PMT · Phosphoric acid mono-[3-(3-{[5-(4-amino-2-oxo-2H-pyrimidin-1-yl)-3,4- dihydroxy-tetrahydro-furan-2-ylmethoxy]-hydroxy-phosphoryloxy}-3-oxo-propylcarbamoyl)-3-hydroxy-2,2- dimethyl-propyl] ester · ligand · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1176 | 0.78 | 0.80 | 106 | PMT |
| 2 | 367 | 0.74 | 0.85 | 51 | PMT |
| 3 | 288 | 0.71 | 0.85 | 43 | PMT |
| 4 | 226 | 0.53 | 0.77 | 26 | empty |
| 5 | 56 | 0.32 | 0.76 | 11 | empty |
Interfaces
2 interfaces between chains.
- A–B · 1519 Ų buried · 24 hydrogen bonds · protein-protein
- B–C · 450 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 1U7Z · Phosphopantothenoylcysteine synthetase from E. coli, 4'-phosphopantothenoyl-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 1U7Z · PDBe 1U7Z · UniProt P0ABQ0
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.