MolNFT v1 · #102200 · protein
Crystal structure of nika from brucella suis, unliganded form
4OER · Nika protein: “Crystal structure of nika from brucella suis, unliganded form”. X-ray diffraction, 1 ligand (SO4), 13 pockets (best druggability 0.64). MolNFT v1 #102200 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4OER
- Type
- protein
- Length
- 996 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nika protein
- UniProt
- Q9AL82
- Ligands
- SO4
- Pockets
- 13 · best druggability 0.64
Structure
x-ray diffraction · 1 distinct chain · 32% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Nika protein | protein | 498 | 32% helix, 24% strand | Q9AL82 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 370 | 0.64 | 0.79 | 35 | GOL |
| 2 | 87 | 0.54 | 0.85 | 20 | empty |
| 3 | 85 | 0.52 | 0.84 | 20 | empty |
| 4 | 192 | 0.49 | 0.76 | 30 | GOL |
| 5 | 176 | 0.49 | 0.77 | 29 | GOL |
Interfaces
1 interface between chains.
- A–B · 484 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 4OER · Crystal structure of NikA from Brucella suis, unliganded form · 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 Q9AL82
- Elsewhere: RCSB PDB 4OER · PDBe 4OER · UniProt Q9AL82
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