MolNFT v1 · #107308 · protein
Crystal structure of the eutl microcompartment shell protein from clostridium perfringens bound to vitamin B12
4U6I · Ethanolamine utilization protein eutl: “Crystal structure of the eutl microcompartment shell protein from clostridium perfringens bound to vitamin B12”. X-ray diffraction, 2 ligands (B12, NA), 6 pockets (best druggability 0.50).…
- PDB
- 4U6I
- Type
- protein
- Length
- 650 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ethanolamine utilization protein eutl
- UniProt
- B1RMU6
- Ligands
- B12, NA
- Pockets
- 6 · best druggability 0.50
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Ethanolamine utilization protein eutl | protein | 217 | 36% helix, 27% strand | B1RMU6 |
| C | Ethanolamine utilization protein eutl | protein | 216 | 36% helix, 28% strand | B1RMU6 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 137 | 0.50 | 0.79 | 23 | empty |
| 2 | 141 | 0.49 | 0.79 | 26 | empty |
| 3 | 114 | 0.49 | 0.80 | 23 | empty |
| 4 | 124 | 0.47 | 0.78 | 23 | empty |
| 5 | 124 | 0.45 | 0.78 | 23 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1549 Ų buried · 17 hydrogen bonds · protein-protein
- B–C · 1530 Ų buried · 18 hydrogen bonds · protein-protein
- A–C · 1411 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 4U6I · Crystal Structure of the EutL Microcompartment Shell Protein from Clostridium Perfringens… · 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 B1RMU6
- Elsewhere: RCSB PDB 4U6I · PDBe 4U6I · UniProt B1RMU6
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