MolNFT v1 · #173594 · protein
Structure of the 4'-phosphopantetheinyl transferase pptab from mycobacterium abscessus in complex with coenzyme a and compound 153786 from the nci open database
7B4S · Possible 4'-phosphopantetheinyl transferase: “Structure of the 4'-phosphopantetheinyl transferase pptab from mycobacterium abscessus in complex with…”. X-ray diffraction, 3 ligands (P62, COA, MN), 1 pocket (best druggability 0.59).…
- PDB
- 7B4S
- Type
- protein
- Length
- 217 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Possible 4'-phosphopantetheinyl transferase
- UniProt
- B1MD73
- Ligands
- P62, COA, MN
- Pockets
- 1 · best druggability 0.59
Structure
x-ray diffraction · 1 distinct chain · 31% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Possible 4'-phosphopantetheinyl transferase | protein | 217 | 31% helix, 29% strand | B1MD73 |
Ligands and binding sites
- P62 · 5-[(4-chlorophenyl)methyl]-6-[[2-(dimethylamino) ethylamino]methyl]-4-oxidanyl-1~{H}-pyrimidine-2-thione · ligand · chains A
- COA · Coenzyme A · ligand · chains A
- 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 | 256 | 0.59 | 0.79 | 42 | P62, COA |
Compared structures
- 7B4S · Structure of the 4'-phosphopantetheinyl transferase PptAb from Mycobacterium abscessus in… · 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
- Elsewhere: RCSB PDB 7B4S · PDBe 7B4S · UniProt B1MD73
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