MolNFT v1 · #48662 · protein
Crystal structure of the protein BH0493 from bacillus halodurans C-125 complexed with zn
2Q08 · BH0493 protein: “Crystal structure of the protein BH0493 from bacillus halodurans C-125 complexed with zn”. X-ray diffraction, 1 ligand (ZN), 20 pockets (best druggability 0.74). MolNFT v1 #48662 on GenesisL1: 3D structure, binding…
- PDB
- 2Q08
- Type
- protein
- Length
- 4,956 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- BH0493 protein
- UniProt
- Q9KFI6
- Ligands
- ZN
- Pockets
- 20 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 56% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H, I, J, K, L | BH0493 protein | protein | 413 | 56% helix, 9% strand | Q9KFI6 |
Ligands and binding sites
- ZN · Zinc ion · metal · 16 copies · chains A, B, C, D, E, F, G, H, I, J, K, L
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 344 | 0.74 | 0.86 | 38 | empty |
| 2 | 797 | 0.72 | 0.78 | 75 | ZN |
| 3 | 370 | 0.72 | 0.84 | 42 | empty |
| 4 | 525 | 0.71 | 0.81 | 47 | empty |
| 5 | 386 | 0.67 | 0.80 | 49 | empty |
Interfaces
23 interfaces between chains.
- A–B · 2071 Ų buried · 35 hydrogen bonds · protein-protein
- H–I · 2060 Ų buried · 36 hydrogen bonds · protein-protein
- J–L · 2059 Ų buried · 37 hydrogen bonds · protein-protein
- E–F · 2056 Ų buried · 40 hydrogen bonds · protein-protein
- A–C · 2050 Ų buried · 36 hydrogen bonds · protein-protein
Compared structures
- 2Q08 · Crystal structure of the protein BH0493 from Bacillus halodurans C-125 complexed with ZN · the same entry in another collection · chain L against L, 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 Q9KFI6
- Elsewhere: RCSB PDB 2Q08 · PDBe 2Q08 · UniProt Q9KFI6
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