MolNFT v1 · #154305 · protein
Chaperone-tip adhesin complex is vital for synergistic activation of CFA/I fimbriae biogenesis
6K73 · Colonization factor antigen I chaperone cfaa: “Chaperone-tip adhesin complex is vital for synergistic activation of CFA/I fimbriae biogenesis”. X-ray diffraction, 1 ligand (NI), 10 pockets (best druggability 0.78). MolNFT v1 #154305…
- PDB
- 6K73
- Type
- protein
- Length
- 1,061 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Colonization factor antigen I chaperone cfaa; CFA/I fimbrial subunit E
- UniProt
- A0A3Y5Z8F9, P25734
- Ligands
- NI
- Pockets
- 10 · best druggability 0.78
Structure
x-ray diffraction · 4 distinct chains · 1% helix, 52% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Colonization factor antigen I chaperone cfaa | protein | 204 | 0% helix, 53% strand | A0A3Y5Z8F9 |
| B | Colonization factor antigen I chaperone cfaa | protein | 211 | 0% helix, 54% strand | A0A3Y5Z8F9 |
| C | CFA/I fimbrial subunit E | protein | 320 | 1% helix, 53% strand | P25734 |
| D | CFA/I fimbrial subunit E | protein | 326 | 2% helix, 51% strand | P25734 |
Ligands and binding sites
- NI · Nickel (II) ion · metal · 4 copies · chains A, B, C
- GOL · Glycerol · additive · 4 copies · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 869 | 0.78 | 0.81 | 89 | empty |
| 2 | 820 | 0.73 | 0.78 | 70 | empty |
| 3 | 806 | 0.71 | 0.76 | 60 | empty |
| 4 | 362 | 0.65 | 0.79 | 34 | empty |
| 5 | 158 | 0.50 | 0.78 | 20 | empty |
Interfaces
5 interfaces between chains.
- B–D · 2306 Ų buried · 40 hydrogen bonds · protein-protein
- A–C · 1968 Ų buried · 38 hydrogen bonds · protein-protein
- B–C · 809 Ų buried · 5 hydrogen bonds · protein-protein
- A–D · 766 Ų buried · 7 hydrogen bonds · protein-protein
- A–B · 52 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 6K73 · Chaperone-tip adhesin complex is vital for synergistic activation of CFA/I fimbriae… · the same entry in another collection · chain A against A, TM-score 1.00
- P25734 · AlphaFold monomer V2.0 prediction for CFA/I fimbrial subunit E (P25734) · a predicted model of the same protein · chain D against A, TM-score 0.77
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 A0A3Y5Z8F9
- Every structure of UniProt P25734
- Elsewhere: RCSB PDB 6K73 · PDBe 6K73 · UniProt A0A3Y5Z8F9 · UniProt P25734
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