MolNFT v1 · #152228 · protein
Structure of a complex of suhb and nusa AR2 domain
6IB8 · Inositol-1-monophosphatase: “Structure of a complex of suhb and nusa AR2 domain”. X-ray diffraction, 1 ligand (MG), 10 pockets (best druggability 0.75). MolNFT v1 #152228 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6IB8
- Type
- protein
- Length
- 594 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Inositol-1-monophosphatase; Transcription TERMINATION/ANTITERMINATION protein nusa
- EC
- 3.1.3.25
- UniProt
- P0ADG4, C3SSP1
- Ligands
- MG
- Pockets
- 10 · best druggability 0.75
Structure
x-ray diffraction · 3 distinct chains · 42% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Inositol-1-monophosphatase (EC 3.1.3.25) | protein | 259 | 41% helix, 26% strand | P0ADG4 |
| B | Inositol-1-monophosphatase (EC 3.1.3.25) | protein | 270 | 39% helix, 29% strand | P0ADG4 |
| C | Transcription TERMINATION/ANTITERMINATION protein nusa | protein | 65 | 57% helix, 0% strand | C3SSP1 |
Ligands and binding sites
- MG · Magnesium ion · metal · 2 copies · chains A, B
- GOL · Glycerol · additive · 8 copies · chains A, B, C
- PE4 · 2-{2-[2-(2-{2-[2-(2-ethoxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-ethanol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 224 | 0.75 | 0.90 | 39 | GOL, MG |
| 2 | 63 | 0.73 | 0.99 | 16 | GOL |
| 3 | 134 | 0.64 | 0.87 | 25 | GOL |
| 4 | 250 | 0.56 | 0.77 | 20 | empty |
| 5 | 206 | 0.55 | 0.79 | 27 | GOL |
Interfaces
2 interfaces between chains.
- A–B · 1619 Ų buried · 29 hydrogen bonds · protein-protein
- A–C · 701 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
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 P0ADG4
- Every structure of UniProt C3SSP1
- Elsewhere: RCSB PDB 6IB8 · PDBe 6IB8 · UniProt P0ADG4 · UniProt C3SSP1
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