MolNFT v1 · #48406 · protein
Structure and metal binding properties of znua, a periplasmic zinc transporter from escherichia COLI
2PS9 · High-affinity zinc uptake system protein znua: “Structure and metal binding properties of znua, a periplasmic zinc transporter from escherichia COLI”. X-ray diffraction, 1 ligand (CO), 4 pockets (best druggability 0.69). MolNFT v1…
- PDB
- 2PS9
- Type
- protein
- Length
- 528 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- High-affinity zinc uptake system protein znua
- UniProt
- P39172
- Ligands
- CO
- Pockets
- 4 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 48% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | High-affinity zinc uptake system protein znua | protein | 263 | 50% helix, 11% strand | P39172 |
| B | High-affinity zinc uptake system protein znua | protein | 265 | 46% helix, 12% strand | P39172 |
Ligands and binding sites
- CO · Cobalt (II) ion · metal · 2 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 847 | 0.69 | 0.75 | 85 | empty |
| 2 | 127 | 0.49 | 0.80 | 22 | empty |
| 3 | 56 | 0.33 | 0.77 | 17 | empty |
| 4 | 73 | 0.29 | 0.73 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 457 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 2PS9 · Structure and metal binding properties of ZnuA, a periplasmic zinc transporter from… · the same entry in another collection · chain A against A, TM-score 1.00
- P39172 · AlphaFold monomer V2.0 prediction for high-affinity zinc uptake system protein znua… · a predicted model of the same protein · chain A against A, TM-score 0.96
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 P39172
- Elsewhere: RCSB PDB 2PS9 · PDBe 2PS9 · UniProt P39172
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