Research workbench
Crystal structure of BH2092 protein from bacillus halodurans, northeast structural genomics consortium target BHR228F
Analyse Crystal structure of BH2092 protein from bacillus halodurans, northeast… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3NHV
- Type
- protein
- Length
- 673 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- BH2092 protein
- UniProt
- Q9KB42
- Ligands
- CL
- Pockets
- 9 · best druggability 0.84
Structure
x-ray diffraction · 5 distinct chains · 38% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | BH2092 protein | protein | 134 | 39% helix, 17% strand | Q9KB42 |
| B | BH2092 protein | protein | 137 | 37% helix, 17% strand | Q9KB42 |
| C | BH2092 protein | protein | 135 | 39% helix, 16% strand | Q9KB42 |
| D | BH2092 protein | protein | 134 | 38% helix, 16% strand | Q9KB42 |
| E | BH2092 protein | protein | 133 | 40% helix, 16% strand | Q9KB42 |
Ligands and binding sites
- CL · Chloride ion · ion · 4 copies · chains A, B, C, D, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 709 | 0.84 | 0.88 | 62 | empty |
| 2 | 831 | 0.77 | 0.80 | 88 | empty |
| 3 | 862 | 0.72 | 0.77 | 83 | empty |
| 4 | 294 | 0.64 | 0.81 | 43 | empty |
| 5 | 79 | 0.42 | 0.79 | 17 | CL |
Interfaces
6 interfaces between chains.
- B–C · 1271 Ų buried · 15 hydrogen bonds · protein-protein
- A–B · 1177 Ų buried · 10 hydrogen bonds · protein-protein
- A–C · 1152 Ų buried · 15 hydrogen bonds · protein-protein
- B–D · 585 Ų buried · 11 hydrogen bonds · protein-protein
- A–E · 436 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 modified, 5 disulfide (engineered, disulfide).
Compared structures
- 3NHV · Crystal Structure of BH2092 protein from Bacillus halodurans, 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 Q9KB42
- Elsewhere: RCSB PDB 3NHV · PDBe 3NHV · UniProt Q9KB42
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