MolNFT v1 · #122489 · protein
Crystal structure of the E. COLI type 1 pilus subunit fimg (engineered variant with substitution Q134E; N-terminal fimg residues 1-12 truncated) in complex with the donor strand peptide DSF_SRIRIRGYVR
5IQN · Protein fimg: “Crystal structure of the E. COLI type 1 pilus subunit fimg (engineered variant with substitution Q134E…”. X-ray diffraction, 1 ligand (CO), 3 pockets (best druggability 0.47). MolNFT v1 #122489 on GenesisL1: 3D…
- PDB
- 5IQN
- Type
- protein
- Length
- 284 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein fimg; Protein fimf
- UniProt
- P08190, P08189
- Ligands
- CO
- Pockets
- 3 · best druggability 0.47
Structure
x-ray diffraction · 2 distinct chains · 2% helix, 52% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, G | Protein fimg | protein | 132 | 2% helix, 50% strand | P08190 |
| B, F | Protein fimf | protein | 10 | 0% helix, 80% strand | P08189 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 153 | 0.47 | 0.77 | 28 | empty |
| 2 | 92 | 0.37 | 0.76 | 22 | CO |
| 3 | 54 | 0.30 | 0.76 | 15 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1046 Ų buried · 37 hydrogen bonds · protein-protein
- F–G · 1031 Ų buried · 35 hydrogen bonds · protein-protein
- A–G · 444 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 5IQN · Crystal structure of the E. coli type 1 pilus subunit FimG (engineered variant with… · the same entry in another collection · chain G against G, TM-score 1.00
- P08190 · AlphaFold monomer V2.0 prediction for protein fimg (P08190) · a predicted model of the same protein · chain A against A, TM-score 0.99
- P08189 · AlphaFold monomer V2.0 prediction for protein fimf (P08189) · a predicted model of the same protein · chain B against A, TM-score 0.71
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 P08190
- Every structure of UniProt P08189
- Elsewhere: RCSB PDB 5IQN · PDBe 5IQN · UniProt P08190 · UniProt P08189
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