MolNFT v1 · #99051 · protein
The crystal structure of helicobacter pylori CEUE(HP1561)/NI-his compl
4LS3 · Nickel (III) ABC transporter, periplasmic iron-bindin…: “The crystal structure of helicobacter pylori CEUE(HP1561)/NI-his compl”. X-ray diffraction, 2 ligands (HIS, NI), 8 pockets (best druggability 0.63). MolNFT v1 #99051 on…
- PDB
- 4LS3
- Type
- protein
- Length
- 604 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nickel (III) ABC transporter, periplasmic iron-bindin gprotein
- UniProt
- B5Z9J2
- Ligands
- HIS, NI
- Pockets
- 8 · best druggability 0.63
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Nickel (III) ABC transporter, periplasmic iron-bindin gprotein | protein | 302 | 46% helix, 19% strand | B5Z9J2 |
Ligands and binding sites
- HIS · Histidine · ligand · 4 copies · chains A, B
- NI · Nickel (II) ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 404 | 0.63 | 0.77 | 40 | empty |
| 2 | 247 | 0.60 | 0.80 | 29 | HIS, NI |
| 3 | 236 | 0.60 | 0.80 | 30 | HIS, NI |
| 4 | 51 | 0.53 | 0.89 | 20 | empty |
| 5 | 195 | 0.46 | 0.74 | 35 | empty |
Interfaces
1 interface between chains.
- A–B · 203 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 4LS3 · THE crystal STRUCTURE OF HELICOBACTER PYLORI CEUE(HP1561)/NI-HIS COMPL · 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 B5Z9J2
- Elsewhere: RCSB PDB 4LS3 · PDBe 4LS3 · UniProt B5Z9J2
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