MolNFT v1 · #40197 · protein
Crystal structure of a putative phou-like phosphate regulatory protein (NP_719307.1) from shewanella oneidensis mr-1 at 2.28 a resolution.
2IIU · Hypothetical protein: “Crystal structure of a putative phou-like phosphate regulatory protein (NP_719307.1) from shewanella…”. X-ray diffraction, 7 pockets (best druggability 0.54). MolNFT v1 #40197 on GenesisL1: 3D structure…
- PDB
- 2IIU
- Type
- protein
- Length
- 631 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypothetical protein
- UniProt
- Q8EAX1
- Pockets
- 7 · best druggability 0.54
Structure
x-ray diffraction · 3 distinct chains · 85% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hypothetical protein | protein | 208 | 87% helix, 0% strand | Q8EAX1 |
| B | Hypothetical protein | protein | 209 | 86% helix, 0% strand | Q8EAX1 |
| C | Hypothetical protein | protein | 214 | 83% helix, 0% strand | Q8EAX1 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 4 copies · 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 | 375 | 0.54 | 0.73 | 38 | empty |
| 2 | 122 | 0.53 | 0.81 | 23 | empty |
| 3 | 185 | 0.50 | 0.77 | 21 | empty |
| 4 | 212 | 0.47 | 0.74 | 30 | empty |
| 5 | 99 | 0.44 | 0.78 | 18 | empty |
Interfaces
2 interfaces between chains.
- B–C · 493 Ų buried · 1 hydrogen bond · protein-protein
- A–C · 315 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 15 modified (engineered).
Compared structures
- 2IIU · Crystal structure of a putative PhoU-like phosphate regulatory protein (NP_719307.1) from… · 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 Q8EAX1
- Elsewhere: RCSB PDB 2IIU · PDBe 2IIU · UniProt Q8EAX1
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