MolNFT v1 · #123168 · protein
Crystal structure of apo phosphopantetheine adenylyltransferase (PPAT/COAD) from E. COLI
5JBN: “Crystal structure of apo phosphopantetheine adenylyltransferase (PPAT/COAD) from E. COLI”. X-ray diffraction, 1 ligand (SO4), 2 pockets (best druggability 0.68). MolNFT v1 #123168 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5JBN
- Type
- protein
- Length
- 317 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphopantetheine adenylyltransferase
- EC
- 2.7.7.3
- UniProt
- P0A6I6
- Ligands
- SO4
- Pockets
- 2 · best druggability 0.68
Structure
x-ray diffraction · 2 distinct chains · 47% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphopantetheine adenylyltransferase (EC 2.7.7.3) | protein | 160 | 48% helix, 18% strand | P0A6I6 |
| B | Phosphopantetheine adenylyltransferase (EC 2.7.7.3) | protein | 157 | 46% helix, 18% strand | P0A6I6 |
Ligands and binding sites
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 | 482 | 0.68 | 0.79 | 52 | SO4 |
| 2 | 489 | 0.66 | 0.78 | 46 | SO4 |
Interfaces
1 interface between chains.
- A–B · 1159 Ų buried · 19 hydrogen bonds · protein-protein
Compared structures
- 5JBN · Crystal Structure of Apo Phosphopantetheine Adenylyltransferase (PPAT/CoaD) from E. coli · the same entry in another collection · chain A against A, TM-score 1.00
- P0A6I6 · AlphaFold monomer V2.0 prediction for phosphopantetheine adenylyltransferase (P0A6I6) · a predicted model of the same protein · chain B against A, TM-score 0.97
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 P0A6I6
- Elsewhere: RCSB PDB 5JBN · PDBe 5JBN · UniProt P0A6I6
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