Research workbench
Pptt PAP(COA) 8918 complex
Analyse Pptt PAP(COA) 8918 complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6CT5
- Type
- protein
- Length
- 442 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 4'-phosphopantetheinyl transferase
- UniProt
- A0A0T9N0I0
- Ligands
- FD7, COA, MG
- Pockets
- 2 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 30% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | 4'-phosphopantetheinyl transferase | protein | 221 | 30% helix, 31% strand | A0A0T9N0I0 |
Ligands and binding sites
- FD7 · N-(2,6-diethylphenyl)-N'-(N-ethylcarbamimidoyl)urea · ligand · 3 copies · chains A, B
- COA · Coenzyme A · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 6 copies · chains A, B
- DMS · Dimethyl sulfoxide · additive · 7 copies · chains A, B
- GOL · Glycerol · additive · 6 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 940 | 0.78 | 0.80 | 103 | COA, FD7, MG, GOL |
| 2 | 65 | 0.34 | 0.76 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 337 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 6CT5 · PptT PAP(CoA) 8918 complex · the same entry in another collection · chain B against B, 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 A0A0T9N0I0
- Elsewhere: RCSB PDB 6CT5 · PDBe 6CT5 · UniProt A0A0T9N0I0
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