Research workbench
Crystal structure of protein of unknown function SO2946 from shewanella oneidensis mr-1
Analyse Crystal structure of protein of unknown function SO2946 from shewanella… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2A5Z
- Type
- protein
- Length
- 722 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypothetical protein SO2946
- UniProt
- Q8ED25
- Ligands
- MG
- Pockets
- 6 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 5% helix, 48% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Hypothetical protein SO2946 | protein | 239 | 6% helix, 49% strand | Q8ED25 |
| C | Hypothetical protein SO2946 | protein | 244 | 5% helix, 47% strand | Q8ED25 |
Ligands and binding sites
- MG · Magnesium ion · metal · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 553 | 0.80 | 0.87 | 71 | empty |
| 2 | 136 | 0.51 | 0.80 | 20 | empty |
| 3 | 91 | 0.51 | 0.83 | 19 | empty |
| 4 | 114 | 0.49 | 0.80 | 20 | empty |
| 5 | 53 | 0.46 | 0.85 | 15 | empty |
Interfaces
3 interfaces between chains.
- A–C · 1720 Ų buried · 16 hydrogen bonds · protein-protein
- B–C · 1623 Ų buried · 17 hydrogen bonds · protein-protein
- A–B · 1591 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 21 modified (engineered).
Compared structures
- 2A5Z · Crystal Structure of Protein of Unknown Function SO2946 from Shewanella oneidensis MR-1 · 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
- Every structure of UniProt Q8ED25
- Elsewhere: RCSB PDB 2A5Z · PDBe 2A5Z · UniProt Q8ED25
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