MolNFT v1 · #66767 · protein
Crystal structure of a putative organic hydroperoxide resistance protein from vibrio cholerae O1 biovar eltor str. N16961
3I07: “Crystal structure of a putative organic hydroperoxide resistance protein from vibrio cholerae O1 biovar eltor…”. X-ray diffraction, 2 pockets (best druggability 0.63). MolNFT v1 #66767 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3I07
- Type
- protein
- Length
- 293 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Organic hydroperoxide resistance protein
- UniProt
- Q9KKU4
- Pockets
- 2 · best druggability 0.63
Structure
x-ray diffraction · 2 distinct chains · 32% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Organic hydroperoxide resistance protein | protein | 145 | 32% helix, 30% strand | Q9KKU4 |
| B | Organic hydroperoxide resistance protein | protein | 148 | 33% helix, 28% strand | Q9KKU4 |
Ligands and binding sites
- GOL · Glycerol · additive · 2 copies · chains A, B
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 109 | 0.63 | 0.88 | 18 | GOL |
| 2 | 87 | 0.44 | 0.79 | 14 | MES |
Interfaces
1 interface between chains.
- A–B · 3545 Ų buried · 65 hydrogen bonds · protein-protein
Compared structures
- 3I07 · Crystal structure of a putative organic hydroperoxide resistance protein from Vibrio… · 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 Q9KKU4
- Elsewhere: RCSB PDB 3I07 · PDBe 3I07 · UniProt Q9KKU4
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