MolNFT v1 · #68616 · protein
Crystal strcture of flis-HP1076 complex in H. pylori
3K1I · Flagellar protein: “Crystal strcture of flis-HP1076 complex in H. pylori”. X-ray diffraction, 7 pockets (best druggability 0.73). MolNFT v1 #68616 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3K1I
- Type
- protein
- Length
- 449 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Flagellar protein; Putative uncharacterized protein
- UniProt
- O25448, O25709
- Pockets
- 7 · best druggability 0.73
Structure
x-ray diffraction · 4 distinct chains · 75% helix, 7% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Flagellar protein | protein | 106 | 83% helix, 0% strand | O25448 |
| B | Flagellar protein | protein | 104 | 85% helix, 0% strand | O25448 |
| C | Putative uncharacterized protein | protein | 119 | 66% helix, 13% strand | O25709 |
| D | Putative uncharacterized protein | protein | 120 | 68% helix, 13% strand | O25709 |
Pockets
7 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 608 | 0.73 | 0.80 | 63 | empty |
| 2 | 101 | 0.38 | 0.75 | 16 | empty |
| 3 | 91 | 0.38 | 0.76 | 18 | empty |
| 4 | 69 | 0.37 | 0.77 | 14 | empty |
| 5 | 65 | 0.29 | 0.73 | 14 | empty |
Interfaces
3 interfaces between chains.
- A–D · 929 Ų buried · 13 hydrogen bonds · protein-protein
- B–C · 927 Ų buried · 12 hydrogen bonds · protein-protein
- A–B · 580 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 3K1I · Crystal strcture of FliS-HP1076 complex in H. pylori · 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 O25448
- Every structure of UniProt O25709
- Elsewhere: RCSB PDB 3K1I · PDBe 3K1I · UniProt O25448 · UniProt O25709
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