MolNFT v1 · #102227 · protein
Crystal structure of nika from staphylococcus aureus in complex with NI(L-HIS)2
4OFJ · Extracytoplasmic nickel-binding protein sanika: “Crystal structure of nika from staphylococcus aureus in complex with NI(L-HIS)2”. X-ray diffraction, 2 ligands (HIS, NI), 5 pockets (best druggability 0.80). MolNFT v1 #102227 on…
- PDB
- 4OFJ
- Type
- protein
- Length
- 465 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Extracytoplasmic nickel-binding protein sanika
- UniProt
- Q5HJE1
- Ligands
- HIS, NI
- Pockets
- 5 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 28% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Extracytoplasmic nickel-binding protein sanika | protein | 465 | 28% helix, 26% strand | Q5HJE1 |
Ligands and binding sites
- HIS · Histidine · ligand · 2 copies · chains A
- NI · Nickel (II) ion · metal · chains A
- GOL · Glycerol · additive · 17 copies · chains A
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 661 | 0.80 | 0.85 | 70 | NI, HIS, GOL |
| 2 | 163 | 0.70 | 0.89 | 31 | GOL |
| 3 | 115 | 0.49 | 0.80 | 23 | GOL |
| 4 | 132 | 0.41 | 0.74 | 27 | empty |
| 5 | 68 | 0.31 | 0.75 | 15 | GOL |
Compared structures
- 4OFJ · Crystal structure of NikA from Staphylococcus aureus in complex with Ni(L-His)2 · 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 Q5HJE1
- Elsewhere: RCSB PDB 4OFJ · PDBe 4OFJ · UniProt Q5HJE1
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