Research workbench
Crystal structure of an enolase from enterobacter sp. 638 (efi target efi-501662) with bound mg
Analyse Crystal structure of an enolase from enterobacter sp. 638 (efi target… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3TJI
- Type
- protein
- Length
- 1,596 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mandelate RACEMASE/MUCONATE lactonizing enzyme, N-terminal domain protein
- UniProt
- A4W7D6
- Ligands
- MG, CL
- Pockets
- 9 · best druggability 0.88
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Mandelate RACEMASE/MUCONATE lactonizing enzyme, N-terminal domain protein | protein | 399 | 42% helix, 17% strand | A4W7D6 |
Ligands and binding sites
- MG · Magnesium ion · metal · 4 copies · chains A, B, C, D
- CL · Chloride ion · ion · 12 copies · chains A, C, B, D
- GOL · Glycerol · additive · 5 copies · chains A, C, B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1118 | 0.88 | 0.89 | 142 | GOL |
| 2 | 1096 | 0.88 | 0.89 | 133 | CL |
| 3 | 76 | 0.76 | 0.99 | 23 | empty |
| 4 | 478 | 0.69 | 0.80 | 47 | GOL |
| 5 | 488 | 0.69 | 0.79 | 47 | GOL |
Interfaces
5 interfaces between chains.
- A–C · 2547 Ų buried · 31 hydrogen bonds · protein-protein
- B–D · 2538 Ų buried · 28 hydrogen bonds · protein-protein
- A–D · 1412 Ų buried · 18 hydrogen bonds · protein-protein
- A–B · 1292 Ų buried · 26 hydrogen bonds · protein-protein
- C–D · 1289 Ų buried · 27 hydrogen bonds · protein-protein
Compared structures
- 3TJI · CRYSTAL STRUCTURE OF AN ENOLASE FROM ENTEROBACTER sp. 638 (EFI TARGET EFI-501662) with… · the same entry in another collection · chain A against A, TM-score 1.00
- A4W7D6 · AlphaFold monomer V2.0 prediction for D-galactonate dehydratase family member ENT638_0932… · a predicted model of the same protein · chain A against A, TM-score 0.99
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 A4W7D6
- Elsewhere: RCSB PDB 3TJI · PDBe 3TJI · UniProt A4W7D6
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.