Research workbench
Structure of the major type IV pilin of acinetobacter baumannii
Analyse Structure of the major type IV pilin of acinetobacter baumannii in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4XA2
- Type
- protein
- Length
- 978 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Maltose-binding periplasmic PROTEIN,MBP-pila: C
- UniProt
- P0AEY0
- Ligands
- GLC
- Pockets
- 9 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Maltose-binding periplasmic PROTEIN,MBP-pila: C | protein | 490 | 41% helix, 23% strand | P0AEY0 |
| B | Maltose-binding periplasmic PROTEIN,MBP-pila: C | protein | 488 | 41% helix, 23% strand | P0AEY0 |
Ligands and binding sites
- GLC · alpha-D-glucopyranose · sugar · 6 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 350 | 0.76 | 0.86 | 32 | GLC |
| 2 | 325 | 0.75 | 0.86 | 27 | GLC |
| 3 | 487 | 0.67 | 0.79 | 51 | empty |
| 4 | 467 | 0.65 | 0.77 | 52 | empty |
| 5 | 270 | 0.51 | 0.75 | 33 | EDO |
Interfaces
1 interface between chains.
- A–B · 365 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 4XA2 · Structure of the Major Type IV pilin of Acinetobacter baumannii · 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 P0AEY0
- Elsewhere: RCSB PDB 4XA2 · PDBe 4XA2 · UniProt P0AEY0
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