MolNFT v1 · #88579 · protein
Structure of the sodium proton antiporter panhap from pyrococcus abyssii with bound thallium ion.
4CZA · NA+/H+ antiporter, putative: “Structure of the sodium proton antiporter panhap from pyrococcus abyssii with bound thallium ion.”. X-ray diffraction, 2 ligands (TAM, TL), 10 pockets (best druggability 0.85). MolNFT v1 #88579 on…
- PDB
- 4CZA
- Type
- protein
- Length
- 839 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- NA+/H+ antiporter, putative
- UniProt
- Q9UZ55
- Ligands
- TAM, TL
- Pockets
- 10 · best druggability 0.85
Structure
x-ray diffraction · 2 distinct chains · 80% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | NA+/H+ antiporter, putative | protein | 420 | 81% helix, 0% strand | Q9UZ55 |
| B | NA+/H+ antiporter, putative | protein | 419 | 80% helix, 0% strand | Q9UZ55 |
Ligands and binding sites
- TAM · Tris(hydroxyethyl)aminomethane · ligand · 4 copies · chains A, B
- TL · Thallium (I) ion · metal · 2 copies · chains A, B
- BOG · octyl beta-D-glucopyranoside · additive · chains A, B
- UND · Undecane · additive · chains B
- ACT · Acetate ion · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 990 | 0.85 | 0.85 | 73 | empty |
| 2 | 558 | 0.71 | 0.79 | 47 | TAM |
| 3 | 505 | 0.70 | 0.79 | 33 | ACT |
| 4 | 239 | 0.58 | 0.78 | 24 | empty |
| 5 | 192 | 0.57 | 0.80 | 32 | TAM |
Interfaces
1 interface between chains.
- A–B · 1842 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 14 modified (engineered).
Compared structures
- 4CZA · Structure of the sodium proton antiporter PaNhaP from Pyrococcus abyssii with bound… · 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 Q9UZ55
- Elsewhere: RCSB PDB 4CZA · PDBe 4CZA · UniProt Q9UZ55
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