Research workbench
C2 crystal structure of ALA2ILE2-6, a version of rop with a repacked hydrophobic core and a new fold.
Analyse C2 crystal structure of ALA2ILE2-6, a version of rop with a repacked… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1F4N
- Type
- protein
- Length
- 109 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Rop ALA2ILE2-6
- UniProt
- P03051
- Ligands
- CA
- Pockets
- 1 · best druggability 0.35
Structure
x-ray diffraction · 2 distinct chains · 84% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Rop ALA2ILE2-6 | protein | 59 | 83% helix, 0% strand | P03051 |
| B | Rop ALA2ILE2-6 | protein | 50 | 86% helix, 0% strand | P03051 |
Ligands and binding sites
- CA · Calcium ion · metal · 4 copies · chains A, B
- MPD · (4S)-2-methyl-2,4-pentanediol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 79 | 0.35 | 0.76 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 1190 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 1F4N · C2 crystal structure of ALA2ILE2-6, a version of rop with a repacked hydrophobic core and… · the same entry in another collection · chain A against A, TM-score 1.00
- P03051 · AlphaFold monomer V2.0 prediction for regulatory protein rop (P03051) · a predicted model of the same protein · chain B against A, TM-score 0.84
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 P03051
- Elsewhere: RCSB PDB 1F4N · PDBe 1F4N · UniProt P03051
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