Research workbench
Crystal structure of the eutl microcompartment shell protein from clostridium perfringens bound to vitamin B12
Analyse Crystal structure of the eutl microcompartment shell protein from clostridium… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- 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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