MolNFT v1 · #58552 · protein
Crystal structure of a pH domain containing bacterial protein (EXIG_2160) from exiguobacterium sibiricum 255-15 at 2.42 a resolution
3B77 · Uncharacterized protein: “Crystal structure of a pH domain containing bacterial protein (EXIG_2160) from exiguobacterium sibiricum…”. X-ray diffraction, 12 pockets (best druggability 0.68). MolNFT v1 #58552 on GenesisL1: 3D…
- PDB
- 3B77
- Type
- protein
- Length
- 1,105 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized protein
- UniProt
- Q41E03
- Pockets
- 12 · best druggability 0.68
Structure
x-ray diffraction · 5 distinct chains · 46% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Uncharacterized protein | protein | 188 | 45% helix, 27% strand | Q41E03 |
| B, D | Uncharacterized protein | protein | 184 | 47% helix, 27% strand | Q41E03 |
| C | Uncharacterized protein | protein | 184 | 45% helix, 27% strand | Q41E03 |
| E | Uncharacterized protein | protein | 182 | 46% helix, 27% strand | Q41E03 |
| F | Uncharacterized protein | protein | 183 | 49% helix, 27% strand | Q41E03 |
Pockets
12 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 392 | 0.68 | 0.81 | 43 | empty |
| 2 | 449 | 0.68 | 0.79 | 47 | empty |
| 3 | 440 | 0.68 | 0.79 | 44 | empty |
| 4 | 366 | 0.66 | 0.80 | 45 | empty |
| 5 | 241 | 0.48 | 0.74 | 30 | empty |
Interfaces
9 interfaces between chains.
- A–B · 2047 Ų buried · 13 hydrogen bonds · protein-protein
- E–F · 1997 Ų buried · 13 hydrogen bonds · protein-protein
- D–E · 1981 Ų buried · 16 hydrogen bonds · protein-protein
- B–C · 1974 Ų buried · 17 hydrogen bonds · protein-protein
- C–D · 191 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 18 modified (engineered).
Compared structures
- 3B77 · Crystal structure of a ph domain containing bacterial protein (exig_2160) 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 Q41E03
- Elsewhere: RCSB PDB 3B77 · PDBe 3B77 · UniProt Q41E03
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