MolNFT v1 · #36825 · protein
Avidin related protein AVR4 (C122S, K109I mutant) in complex with bna
2FHN · Avidin-related protein 4/5: “Avidin related protein AVR4 (C122S, K109I mutant) in complex with bna”. X-ray diffraction, 1 ligand (BNI), 2 pockets (best druggability 0.52). MolNFT v1 #36825 on GenesisL1: 3D structure, binding sites…
- PDB
- 2FHN
- Type
- protein
- Length
- 236 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Avidin-related protein 4/5
- UniProt
- P56734
- Ligands
- BNI
- Pockets
- 2 · best druggability 0.52
Structure
x-ray diffraction · 1 distinct chain · 8% helix, 51% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| X, Y | Avidin-related protein 4/5 | protein | 118 | 8% helix, 51% strand | P56734 |
Ligands and binding sites
- BNI · 5-(2-oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoic acid (4-nitro-phenyl)-amide · ligand · 2 copies · chains X, Y
- FMT · Formic acid · additive · 6 copies · chains X, Y
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 149 | 0.52 | 0.79 | 21 | BNI |
| 2 | 159 | 0.51 | 0.78 | 21 | BNI |
Interfaces
1 interface between chains.
- X–Y · 1671 Ų buried · 22 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 2FHN · Avidin related protein AVR4 (C122S, K109I mutant) in complex with BNA · the same entry in another collection · chain X against X, TM-score 1.00
- P56734 · AlphaFold monomer V2.0 prediction for avidin-related protein 4/5 (P56734) · a predicted model of the same protein · chain Y against A, TM-score 0.99
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 P56734
- Elsewhere: RCSB PDB 2FHN · PDBe 2FHN · UniProt P56734
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