MolNFT v1 · #169310 · protein
Structure of the campylobacter jejuni G508A flagellar filament
6X80 · Flagellin a: “Structure of the campylobacter jejuni G508A flagellar filament”. Electron microscopy, 1 ligand (P8E), 20 pockets (best druggability 0.90). MolNFT v1 #169310 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6X80
- Type
- protein
- Length
- 12,628 residues
- Chains
- 22
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Flagellin a
- UniProt
- P22251
- Ligands
- P8E
- Pockets
- 20 · best druggability 0.90
Structure
electron microscopy · 1 distinct chain · 44% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P, Q, R, S, T, U, V | Flagellin a | protein | 574 | 44% helix, 14% strand | P22251 |
Ligands and binding sites
- P8E · 5,7-diamino-3,5,7,9-tetradeoxy-L-glycero-alpha-L-manno-non-2-ulopyranosonic acid · ligand · 374 copies · chains A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P, Q, R, S, T, U, V
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1078 | 0.90 | 0.92 | 142 | empty |
| 2 | 1138 | 0.89 | 0.91 | 148 | empty |
| 3 | 919 | 0.89 | 0.91 | 105 | empty |
| 4 | 1171 | 0.89 | 0.91 | 137 | empty |
| 5 | 847 | 0.89 | 0.92 | 111 | empty |
Interfaces
71 interfaces between chains.
- B–U · 3035 Ų buried · 31 hydrogen bonds · protein-protein
- E–R · 3014 Ų buried · 31 hydrogen bonds · protein-protein
- K–L · 3012 Ų buried · 36 hydrogen bonds · protein-protein
- F–Q · 3003 Ų buried · 33 hydrogen bonds · protein-protein
- H–O · 2999 Ų buried · 34 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 374 covalent (covalent ligand).
Compared structures
- 6X80 · Structure of the Campylobacter jejuni G508A Flagellar Filament · the same entry in another collection · chain K against K, 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 P22251
- Elsewhere: RCSB PDB 6X80 · PDBe 6X80 · UniProt P22251
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