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Crystal structure of BH2092 protein (residues 14-131) from bacillus halodurans, northeast structural genomics consortium target BHR228A
Analyse Crystal structure of BH2092 protein (residues 14-131) from bacillus halodurans… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3O3W
- Type
- protein
- Length
- 1,046 residues
- Chains
- 9
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- BH2092 protein
- UniProt
- Q9KB42
- Pockets
- 16 · best druggability 0.84
Structure
x-ray diffraction · 7 distinct chains · 44% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | BH2092 protein | protein | 118 | 44% helix, 16% strand | Q9KB42 |
| B | BH2092 protein | protein | 117 | 44% helix, 16% strand | Q9KB42 |
| C, E | BH2092 protein | protein | 118 | 44% helix, 16% strand | Q9KB42 |
| D, G | BH2092 protein | protein | 114 | 45% helix, 17% strand | Q9KB42 |
| F | BH2092 protein | protein | 118 | 44% helix, 16% strand | Q9KB42 |
| H | BH2092 protein | protein | 116 | 45% helix, 16% strand | Q9KB42 |
| I | BH2092 protein | protein | 113 | 44% helix, 17% strand | Q9KB42 |
Pockets
16 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 783 | 0.84 | 0.87 | 67 | empty |
| 2 | 1154 | 0.84 | 0.85 | 83 | empty |
| 3 | 882 | 0.83 | 0.85 | 78 | empty |
| 4 | 706 | 0.64 | 0.74 | 75 | empty |
| 5 | 205 | 0.48 | 0.75 | 41 | empty |
Interfaces
16 interfaces between chains.
- A–C · 987 Ų buried · 15 hydrogen bonds · protein-protein
- E–F · 951 Ų buried · 15 hydrogen bonds · protein-protein
- B–C · 888 Ų buried · 12 hydrogen bonds · protein-protein
- D–E · 886 Ų buried · 9 hydrogen bonds · protein-protein
- H–I · 864 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 9 disulfide, 9 modified (disulfide, engineered).
Compared structures
- 3O3W · Crystal Structure of BH2092 protein (residues 14-131) from Bacillus halodurans, Northeast… · 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 Q9KB42
- Elsewhere: RCSB PDB 3O3W · PDBe 3O3W · UniProt Q9KB42
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