Research workbench
Engineered variant of listeria monocytogenes inlb internalin domain with an additional leucine rich repeat inserted
Analyse Engineered variant of listeria monocytogenes inlb internalin domain with an… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4AW4
- Type
- protein
- Length
- 915 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Internalin B
- UniProt
- P25147
- Ligands
- SO4
- Pockets
- 5 · best druggability 0.66
Structure
x-ray diffraction · 2 distinct chains · 17% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Internalin B | protein | 301 | 16% helix, 25% strand | P25147 |
| B, C | Internalin B | protein | 307 | 17% helix, 26% strand | P25147 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 22 copies · chains A, B, C
- GOL · Glycerol · additive · 11 copies · chains A, C, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 594 | 0.66 | 0.77 | 63 | GOL, SO4 |
| 2 | 376 | 0.62 | 0.78 | 44 | GOL |
| 3 | 290 | 0.60 | 0.78 | 38 | empty |
| 4 | 246 | 0.57 | 0.78 | 26 | empty |
| 5 | 115 | 0.37 | 0.74 | 21 | empty |
Interfaces
3 interfaces between chains.
- B–C · 1565 Ų buried · 35 hydrogen bonds · protein-protein
- A–C · 463 Ų buried · 5 hydrogen bonds · protein-protein
- A–B · 227 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 4AW4 · Engineered variant of Listeria monocytogenes InlB internalin domain with an additional… · 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 P25147
- Elsewhere: RCSB PDB 4AW4 · PDBe 4AW4 · UniProt P25147
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