MolNFT v1 · #36321 · protein
Crystal structure of a putative DNA damage-inducable (dinb) protein (BH3987) from bacillus halodurans at 1.42 a resolution
2F22: “Crystal structure of a putative DNA damage-inducable (dinb) protein (BH3987) from bacillus halodurans at 1.42…”. X-ray diffraction, 2 ligands (NI, NA), 3 pockets (best druggability 0.55). MolNFT v1 #36321 on GenesisL1: 3D structure…
- PDB
- 2F22
- Type
- protein
- Length
- 285 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- BH3987
- UniProt
- Q9RC77
- Ligands
- NI, NA
- Pockets
- 3 · best druggability 0.55
Structure
x-ray diffraction · 2 distinct chains · 64% helix, 7% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | BH3987 | protein | 142 | 63% helix, 7% strand | Q9RC77 |
| B | BH3987 | protein | 143 | 64% helix, 7% strand | Q9RC77 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 299 | 0.55 | 0.75 | 31 | empty |
| 2 | 245 | 0.55 | 0.76 | 34 | empty |
| 3 | 65 | 0.40 | 0.80 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 1273 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 11 modified (engineered).
Compared structures
- 2F22 · Crystal structure of a putative DNA damage-inducable (dinb) protein (BH3987) 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 Q9RC77
- Elsewhere: RCSB PDB 2F22 · PDBe 2F22 · UniProt Q9RC77
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