MolNFT v1 · #118991 · protein
Darpins as a new tool for experimental phasing in protein crystallography
5FIO · NI3C darpin MUTANT5 hg-site N1: “Darpins as a new tool for experimental phasing in protein crystallography”. X-ray diffraction, 1 ligand (HG), 6 pockets (best druggability 0.64). MolNFT v1 #118991 on GenesisL1: 3D structure, binding…
- PDB
- 5FIO
- Type
- protein
- Length
- 526 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- NI3C darpin MUTANT5 hg-site N1; Maltose-binding periplasmic protein
- UniProt
- P0AEY0
- Ligands
- HG
- Pockets
- 6 · best druggability 0.64
Structure
x-ray diffraction · 2 distinct chains · 48% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | NI3C darpin MUTANT5 hg-site N1 | protein | 160 | 55% helix, 0% strand | — |
| B | Maltose-binding periplasmic protein | protein | 366 | 45% helix, 20% strand | P0AEY0 |
Ligands and binding sites
- HG · Mercury (II) ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 322 | 0.64 | 0.79 | 29 | empty |
| 2 | 306 | 0.56 | 0.76 | 47 | empty |
| 3 | 169 | 0.51 | 0.78 | 26 | empty |
| 4 | 53 | 0.45 | 0.85 | 17 | empty |
| 5 | 133 | 0.43 | 0.76 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 782 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 5FIO · DARPins as a new tool for experimental phasing in protein crystallography · 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 5FIO · PDBe 5FIO · UniProt P0AEY0
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