MolNFT v1 · #28386 · protein
Crystal structure of a branched-chain phosphotransacylase from enterococcus faecalis V583
1YCO: “Crystal structure of a branched-chain phosphotransacylase from enterococcus faecalis V583”. X-ray diffraction, 1 ligand (PO4), 4 pockets (best druggability 0.71). MolNFT v1 #28386 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1YCO
- Type
- protein
- Length
- 543 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Branched-chain phosphotransacylase
- UniProt
- Q834I9
- Ligands
- PO4
- Pockets
- 4 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Branched-chain phosphotransacylase | protein | 276 | 38% helix, 21% strand | Q834I9 |
| B | Branched-chain phosphotransacylase | protein | 267 | 39% helix, 21% strand | Q834I9 |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 709 | 0.71 | 0.78 | 50 | empty |
| 2 | 666 | 0.70 | 0.77 | 53 | empty |
| 3 | 138 | 0.45 | 0.76 | 24 | empty |
| 4 | 65 | 0.42 | 0.81 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 1354 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 1YCO · Crystal structure of a branched-chain phosphotransacylase from Enterococcus faecalis V583 · 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 Q834I9
- Elsewhere: RCSB PDB 1YCO · PDBe 1YCO · UniProt Q834I9
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