Research workbench
Crystal structure of mycobacterial pptab in complex with acp and compound 8918
Analyse Crystal structure of mycobacterial pptab in complex with acp and compound 8918 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7BDW
- Type
- protein
- Length
- 293 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Possible 4'-phosphopantetheinyl transferase; Phthiocerol synthesis polyketide synthase…
- UniProt
- B1MD73, A0A2I7WB16
- Ligands
- COA, FD7, MN
- Pockets
- 1 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Possible 4'-phosphopantetheinyl transferase | protein | 218 | 30% helix, 28% strand | B1MD73 |
| B | Phthiocerol synthesis polyketide synthase type I ppsc | protein | 75 | 63% helix, 0% strand | A0A2I7WB16 |
Ligands and binding sites
- COA · Coenzyme A · ligand · chains A
- FD7 · N-(2,6-diethylphenyl)-N'-(N-ethylcarbamimidoyl)urea · ligand · chains A, B
- MN · Manganese (II) ion · metal · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 711 | 0.81 | 0.84 | 74 | COA, FD7, MN |
Interfaces
1 interface between chains.
- A–B · 696 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 7BDW · Crystal structure of mycobacterial PptAb in complex with ACP and compound 8918 · 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 B1MD73
- Every structure of UniProt A0A2I7WB16
- Elsewhere: RCSB PDB 7BDW · PDBe 7BDW · UniProt B1MD73 · UniProt A0A2I7WB16
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.