MolNFT v1 · #96562 · protein
Crystal structure of an enolase (putative galactarate dehydratase, target efi-500740) from agrobacterium radiobacter, bound na and L- malate, ordered active site
4JN7: “Crystal structure of an enolase (putative galactarate dehydratase, target efi-500740) from agrobacterium…”. X-ray diffraction, 4 ligands (LMR, NA, CL), 3 pockets (best druggability 0.67). MolNFT v1 #96562 on GenesisL1: 3D structure…
- PDB
- 4JN7
- Type
- protein
- Length
- 395 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Enolase
- UniProt
- B9JNP7
- Ligands
- LMR, NA, CL, PO4
- Pockets
- 3 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Enolase | protein | 395 | 37% helix, 18% strand | B9JNP7 |
Ligands and binding sites
- LMR · (2S)-2-hydroxybutanedioic acid · ligand · chains A
- NA · Sodium ion · metal · chains A
- CL · Chloride ion · ion · 5 copies · chains A
- PO4 · Phosphate ion · ion · chains A
- EDO · 1,2-ethanediol · additive · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 408 | 0.67 | 0.80 | 43 | NA, LMR |
| 2 | 59 | 0.54 | 0.88 | 21 | EDO |
| 3 | 58 | 0.35 | 0.78 | 16 | empty |
Compared structures
- 4JN7 · CRYSTAL STRUCTURE OF AN ENOLASE (PUTATIVE GALACTARATE DEHYDRATASE, TARGET EFI-500740)… · 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 B9JNP7
- Elsewhere: RCSB PDB 4JN7 · PDBe 4JN7 · UniProt B9JNP7
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