Research workbench
Crystal structure of an oxidoreductase from bacillus cereus. northeast structural genomics consortium target id BCR251
Analyse Crystal structure of an oxidoreductase from bacillus cereus. northeast… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3HNP
- Type
- protein
- Length
- 1,975 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Oxidoreductase
- EC
- 1.1.1.-
- UniProt
- Q81AZ1
- Pockets
- 20 · best druggability 0.84
Structure
x-ray diffraction · 5 distinct chains · 31% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Oxidoreductase (EC 1.1.1.-) | protein | 350 | 34% helix, 24% strand | Q81AZ1 |
| C | Oxidoreductase (EC 1.1.1.-) | protein | 340 | 31% helix, 24% strand | Q81AZ1 |
| D | Oxidoreductase (EC 1.1.1.-) | protein | 344 | 32% helix, 22% strand | Q81AZ1 |
| E | Oxidoreductase (EC 1.1.1.-) | protein | 297 | 30% helix, 19% strand | Q81AZ1 |
| F | Oxidoreductase (EC 1.1.1.-) | protein | 294 | 27% helix, 23% strand | Q81AZ1 |
Pockets
20 pockets found on a 1 Å grid, 15 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1158 | 0.84 | 0.85 | 137 | empty |
| 2 | 557 | 0.81 | 0.87 | 63 | empty |
| 3 | 563 | 0.81 | 0.87 | 57 | empty |
| 4 | 463 | 0.76 | 0.84 | 74 | empty |
| 5 | 503 | 0.76 | 0.83 | 79 | empty |
Interfaces
12 interfaces between chains.
- B–C · 1811 Ų buried · 31 hydrogen bonds · protein-protein
- D–F · 1768 Ų buried · 32 hydrogen bonds · protein-protein
- A–E · 1759 Ų buried · 27 hydrogen bonds · protein-protein
- A–C · 615 Ų buried · 10 hydrogen bonds · protein-protein
- C–D · 607 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 3HNP · Crystal Structure of an Oxidoreductase from Bacillus cereus. Northeast Structural… · 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 Q81AZ1
- Elsewhere: RCSB PDB 3HNP · PDBe 3HNP · UniProt Q81AZ1
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