Research workbench
Crystal structure of an engineered protein with ferredoxin fold, northeast structural genomics consortium (nesg) target OR277
Analyse Crystal structure of an engineered protein with ferredoxin fold, northeast… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- 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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