MolNFT v1 · #189445 · protein
Crystal structure of phosphotransbutyrylase from clostridium acetobutylicum
7VG9 · Phosphate butyryltransferase: “Crystal structure of phosphotransbutyrylase from clostridium acetobutylicum”. X-ray diffraction, 1 ligand (SO4), 20 pockets (best druggability 0.71). MolNFT v1 #189445 on GenesisL1: 3D structure…
- PDB
- 7VG9
- Type
- protein
- Length
- 2,411 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphate butyryltransferase
- EC
- 2.3.1.19
- UniProt
- A0A7Y9ABB0
- Ligands
- SO4
- Pockets
- 20 · best druggability 0.71
Structure
x-ray diffraction · 4 distinct chains · 42% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, E | Phosphate butyryltransferase (EC 2.3.1.19) | protein | 301 | 44% helix, 16% strand | A0A7Y9ABB0 |
| B, D, G, H | Phosphate butyryltransferase (EC 2.3.1.19) | protein | 300 | 42% helix, 18% strand | A0A7Y9ABB0 |
| C | Phosphate butyryltransferase (EC 2.3.1.19) | protein | 306 | 42% helix, 17% strand | A0A7Y9ABB0 |
| F | Phosphate butyryltransferase (EC 2.3.1.19) | protein | 303 | 42% helix, 17% strand | A0A7Y9ABB0 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 48 copies · chains A, H, B, C, D, E, F, G
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 564 | 0.71 | 0.80 | 55 | SO4 |
| 2 | 516 | 0.70 | 0.80 | 65 | SO4 |
| 3 | 466 | 0.68 | 0.79 | 46 | empty |
| 4 | 550 | 0.68 | 0.78 | 53 | SO4 |
| 5 | 466 | 0.68 | 0.79 | 45 | SO4 |
Interfaces
8 interfaces between chains.
- G–H · 1629 Ų buried · 12 hydrogen bonds · protein-protein
- C–D · 1621 Ų buried · 11 hydrogen bonds · protein-protein
- A–B · 1561 Ų buried · 14 hydrogen bonds · protein-protein
- E–F · 1519 Ų buried · 9 hydrogen bonds · protein-protein
- F–G · 744 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 7VG9 · Crystal structure of phosphotransbutyrylase from Clostridium acetobutylicum · the same entry in another collection · chain G against G, 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 A0A7Y9ABB0
- Elsewhere: RCSB PDB 7VG9 · PDBe 7VG9 · UniProt A0A7Y9ABB0
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