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Structure of the 4'-phosphopantetheinyl transferase pcps from pseudomonas aeruginosa
Analyse Structure of the 4'-phosphopantetheinyl transferase pcps from pseudomonas… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7BCZ
- Type
- protein
- Length
- 961 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 4'-phosphopantetheinyl transferase entd
- UniProt
- A0A6N0ZM94
- Ligands
- COA, MG, NA
- Pockets
- 10 · best druggability 0.78
Structure
x-ray diffraction · 3 distinct chains · 34% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | 4'-phosphopantetheinyl transferase entd | protein | 242 | 34% helix, 27% strand | A0A6N0ZM94 |
| B | 4'-phosphopantetheinyl transferase entd | protein | 239 | 34% helix, 27% strand | A0A6N0ZM94 |
| C | 4'-phosphopantetheinyl transferase entd | protein | 238 | 32% helix, 28% strand | A0A6N0ZM94 |
Ligands and binding sites
- COA · Coenzyme A · ligand · 4 copies · chains A, D, B, C
- MG · Magnesium ion · metal · chains C
- NA · Sodium ion · metal · chains D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 458 | 0.78 | 0.86 | 57 | empty |
| 2 | 1146 | 0.78 | 0.80 | 106 | COA |
| 3 | 340 | 0.64 | 0.79 | 41 | COA, MG |
| 4 | 287 | 0.63 | 0.80 | 35 | empty |
| 5 | 336 | 0.60 | 0.78 | 49 | COA |
Interfaces
4 interfaces between chains.
- A–B · 682 Ų buried · 9 hydrogen bonds · protein-protein
- C–D · 556 Ų buried · 8 hydrogen bonds · protein-protein
- A–D · 465 Ų buried · 2 hydrogen bonds · protein-protein
- B–D · 37 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 7BCZ · Structure of the 4'-phosphopantetheinyl transferase PcpS from Pseudomonas aeruginosa · 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 A0A6N0ZM94
- Elsewhere: RCSB PDB 7BCZ · PDBe 7BCZ · UniProt A0A6N0ZM94
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