MolNFT v1 · #96532 · protein
Enduracididine biosynthesis enzyme mppr complexed with pyruvate
4JMC · Putative uncharacterized protein mppr: “Enduracididine biosynthesis enzyme mppr complexed with pyruvate”. X-ray diffraction, 1 ligand (PYR), 10 pockets (best druggability 0.79). MolNFT v1 #96532 on GenesisL1: 3D structure, binding…
- PDB
- 4JMC
- Type
- protein
- Length
- 515 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative uncharacterized protein mppr
- UniProt
- Q643B8
- Ligands
- PYR
- Pockets
- 10 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 12% helix, 51% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative uncharacterized protein mppr | protein | 257 | 12% helix, 51% strand | Q643B8 |
| B | Putative uncharacterized protein mppr | protein | 258 | 11% helix, 51% strand | Q643B8 |
Ligands and binding sites
- PYR · Pyruvic acid · ligand · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 180 | 0.79 | 0.94 | 29 | PYR |
| 2 | 181 | 0.77 | 0.92 | 26 | PYR |
| 3 | 693 | 0.76 | 0.81 | 68 | empty |
| 4 | 56 | 0.36 | 0.79 | 15 | empty |
| 5 | 84 | 0.33 | 0.74 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 1496 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 covalent (covalent ligand).
Compared structures
- 4JMC · Enduracididine biosynthesis enzyme MppR complexed with pyruvate · 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 Q643B8
- Elsewhere: RCSB PDB 4JMC · PDBe 4JMC · UniProt Q643B8
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