Research workbench
Phosphopantetheine adenylyltransferase in complex with coenzyme a from escherichia COLI
Analyse Phosphopantetheine adenylyltransferase in complex with coenzyme a from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1H1T
- Type
- protein
- Length
- 315 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphopantetheine adenylyltransferase
- EC
- 2.7.7.3
- UniProt
- P23875
- Ligands
- COA, PNS, SO4
- Pockets
- 2 · best druggability 0.66
Structure
x-ray diffraction · 2 distinct chains · 46% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphopantetheine adenylyltransferase (EC 2.7.7.3) | protein | 158 | 46% helix, 18% strand | P23875 |
| B | Phosphopantetheine adenylyltransferase (EC 2.7.7.3) | protein | 157 | 47% helix, 18% strand | P23875 |
Ligands and binding sites
- COA · Coenzyme A · ligand · chains A
- PNS · 4'-phosphopantetheine · ligand · chains B
- SO4 · Sulfate ion · ion · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 382 | 0.66 | 0.80 | 45 | SO4, PNS |
| 2 | 378 | 0.63 | 0.78 | 40 | COA |
Interfaces
1 interface between chains.
- A–B · 1120 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 1H1T · PHOSPHOPANTETHEINE ADENYLYLTRANSFERASE IN COMPLEX WITH Coenzyme A FROM ESCHERICHIA COLI · 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 P23875
- Elsewhere: RCSB PDB 1H1T · PDBe 1H1T · UniProt P23875
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