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Three-dimensional structure of the orthorhombic crystal of computationally designed insertion domain , northeast structural genomics consortium (nesg) target OR327
Analyse Three-dimensional structure of the orthorhombic crystal of computationally… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4KY3
- Type
- protein
- Length
- 480 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Designed protein OR327
- Pockets
- 4 · best druggability 0.47
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Designed protein OR327 | protein | 160 | 42% helix, 37% strand | — |
| B | Designed protein OR327 | protein | 160 | 43% helix, 34% strand | — |
Pockets
4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 129 | 0.47 | 0.78 | 18 | empty |
| 2 | 80 | 0.40 | 0.78 | 18 | empty |
| 3 | 86 | 0.37 | 0.76 | 16 | empty |
| 4 | 75 | 0.32 | 0.74 | 12 | empty |
Interfaces
3 interfaces between chains.
- A–C · 506 Ų buried · 9 hydrogen bonds · protein-protein
- A–B · 473 Ų buried · 8 hydrogen bonds · protein-protein
- B–C · 439 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 9 modified (engineered).
Compared structures
- 4KY3 · Three-dimensional Structure of the orthorhombic crystal of computationally designed… · 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 4KY3 · PDBe 4KY3
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