Research workbench
Hexagonal form of phosphopantetheine adenylyltransferase from mycobacterium tuberculosis
Analyse Hexagonal form of phosphopantetheine adenylyltransferase from mycobacterium… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4R0N
- Type
- protein
- Length
- 936 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphopantetheine adenylyltransferase
- EC
- 2.7.7.3
- UniProt
- W6HGL0
- Ligands
- SO4
- Pockets
- 13 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, E, G, I, K | Phosphopantetheine adenylyltransferase (EC 2.7.7.3) | protein | 156 | 45% helix, 20% strand | W6HGL0 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 8 copies · chains A, C, G, E, I, K
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1153 | 0.85 | 0.86 | 84 | empty |
| 2 | 516 | 0.71 | 0.80 | 54 | SO4 |
| 3 | 529 | 0.70 | 0.79 | 52 | SO4 |
| 4 | 529 | 0.70 | 0.79 | 48 | SO4 |
| 5 | 461 | 0.69 | 0.80 | 49 | SO4 |
Interfaces
14 interfaces between chains.
- C–I · 1003 Ų buried · 13 hydrogen bonds · protein-protein
- E–K · 999 Ų buried · 12 hydrogen bonds · protein-protein
- A–G · 980 Ų buried · 13 hydrogen bonds · protein-protein
- E–G · 624 Ų buried · 4 hydrogen bonds · protein-protein
- A–K · 606 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 4R0N · Hexagonal form of phosphopantetheine adenylyltransferase from Mycobacterium tuberculosis · the same entry in another collection · chain C against C, 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 W6HGL0
- Elsewhere: RCSB PDB 4R0N · PDBe 4R0N · UniProt W6HGL0
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