Research workbench
Crystal structure of a de novo designed ferredoxin fold, northeast structural genomics consortium (nesg) target OR461
Analyse Crystal structure of a de novo designed ferredoxin fold, northeast structural… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4RJV
- Type
- protein
- Length
- 325 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- OR461
- Pockets
- 5 · best druggability 0.59
Structure
x-ray diffraction · 3 distinct chains · 43% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | OR461 | protein | 83 | 42% helix, 34% strand | — |
| B | OR461 | protein | 80 | 44% helix, 35% strand | — |
| C | OR461 | protein | 79 | 44% helix, 35% strand | — |
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 367 | 0.59 | 0.76 | 49 | empty |
| 2 | 121 | 0.44 | 0.77 | 34 | empty |
| 3 | 85 | 0.43 | 0.79 | 17 | empty |
| 4 | 70 | 0.32 | 0.75 | 17 | empty |
| 5 | 52 | 0.32 | 0.77 | 13 | empty |
Interfaces
6 interfaces between chains.
- C–D · 823 Ų buried · 4 hydrogen bonds · protein-protein
- A–B · 735 Ų buried · 3 hydrogen bonds · protein-protein
- A–D · 290 Ų buried · 5 hydrogen bonds · protein-protein
- B–C · 199 Ų buried · 0 hydrogen bonds · protein-protein
- B–D · 86 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 4RJV · Crystal Structure of a De Novo Designed Ferredoxin Fold, Northeast Structural Genomics… · 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 4RJV · PDBe 4RJV
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