MolNFT v1 · #77734 · protein
Crystal structure of stage II sporulation E family protein from thermanaerovibrio acidaminovorans
3RNR: “Crystal structure of stage II sporulation E family protein from thermanaerovibrio acidaminovorans”. X-ray diffraction, 3 pockets (best druggability 0.53). MolNFT v1 #77734 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 3RNR
- Type
- protein
- Length
- 417 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Stage II sporulation E family protein
- UniProt
- D1B7C2
- Pockets
- 3 · best druggability 0.53
Structure
x-ray diffraction · 2 distinct chains · 26% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Stage II sporulation E family protein | protein | 206 | 27% helix, 32% strand | D1B7C2 |
| B | Stage II sporulation E family protein | protein | 211 | 26% helix, 31% strand | D1B7C2 |
Ligands and binding sites
- GOL · Glycerol · additive · 12 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 2 copies · chains A, B
- ACY · Acetic acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 111 | 0.53 | 0.83 | 30 | GOL, EDO |
| 2 | 94 | 0.34 | 0.74 | 19 | empty |
| 3 | 62 | 0.27 | 0.73 | 15 | GOL |
Interfaces
1 interface between chains.
- A–B · 1811 Ų buried · 35 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 modified (engineered).
Compared structures
- 3RNR · Crystal Structure of Stage II Sporulation E Family Protein from Thermanaerovibrio… · 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 D1B7C2
- Elsewhere: RCSB PDB 3RNR · PDBe 3RNR · UniProt D1B7C2
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