MolNFT v1 · #101029 · protein
Crystal structure of an engineered protein with ferredoxin fold, northeast structural genomics consortium (nesg) target OR277
4NEY · Engineered protein OR277: “Crystal structure of an engineered protein with ferredoxin fold, northeast structural genomics consortium…”. X-ray diffraction, 1 ligand (4NE), 7 pockets (best druggability 0.79). MolNFT v1 #101029 on…
- PDB
- 4NEY
- Type
- protein
- Length
- 345 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Engineered protein OR277
- Ligands
- 4NE
- Pockets
- 7 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Engineered protein OR277 | protein | 172 | 41% helix, 35% strand | — |
| B | Engineered protein OR277 | protein | 173 | 40% helix, 31% strand | — |
Ligands and binding sites
- 4NE · tetrabutylphosphonium · ligand · chains A, B
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 958 | 0.79 | 0.81 | 90 | 4NE |
| 2 | 269 | 0.59 | 0.79 | 32 | empty |
| 3 | 168 | 0.51 | 0.78 | 19 | empty |
| 4 | 101 | 0.46 | 0.79 | 18 | empty |
| 5 | 95 | 0.40 | 0.77 | 19 | TRS |
Interfaces
1 interface between chains.
- A–B · 1618 Ų buried · 37 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 18 modified (engineered).
Compared structures
- 4NEY · Crystal Structure of an engineered protein with ferredoxin fold, Northeast Structural… · 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
- Elsewhere: RCSB PDB 4NEY · PDBe 4NEY
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