MolNFT v1 · #50203 · protein
Crystal structure of a putative spore coat protein (BH2358) from bacillus halodurans C-125 at 1.54 a resolution
2RBD · BH2358 protein: “Crystal structure of a putative spore coat protein (BH2358) from bacillus halodurans C-125 at 1.54 a…”. X-ray diffraction, 4 pockets (best druggability 0.60). MolNFT v1 #50203 on GenesisL1: 3D structure, binding…
- PDB
- 2RBD
- Type
- protein
- Length
- 315 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- BH2358 protein
- UniProt
- Q9KAD1
- Pockets
- 4 · best druggability 0.60
Structure
x-ray diffraction · 2 distinct chains · 72% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | BH2358 protein | protein | 159 | 73% helix, 1% strand | Q9KAD1 |
| B | BH2358 protein | protein | 156 | 72% helix, 1% strand | Q9KAD1 |
Ligands and binding sites
- PG4 · Tetraethylene glycol · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 252 | 0.60 | 0.80 | 33 | empty |
| 2 | 225 | 0.59 | 0.80 | 32 | empty |
| 3 | 107 | 0.56 | 0.84 | 24 | PG4 |
| 4 | 110 | 0.56 | 0.84 | 23 | PG4 |
Interfaces
1 interface between chains.
- A–B · 1375 Ų buried · 14 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 modified (engineered).
Compared structures
- 2RBD · Crystal structure of a putative spore coat protein (BH2358) from bacillus halodurans… · 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 Q9KAD1
- Elsewhere: RCSB PDB 2RBD · PDBe 2RBD · UniProt Q9KAD1
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