MolNFT v1 · #66348 · protein
Crystal structure of an oxidoreductase from bacillus cereus. northeast structural genomics consortium target id BCR251
3HNP: “Crystal structure of an oxidoreductase from bacillus cereus. northeast structural genomics consortium target…”. X-ray diffraction, 20 pockets (best druggability 0.84). MolNFT v1 #66348 on GenesisL1: 3D structure, binding sites and…
- 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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