MolNFT v1 · #139278 · protein
Structural insights into the elevator-like mechanism of the SODIUM/CITRATE symporter cits
5XAS · Citrate-sodium symporter: “Structural insights into the elevator-like mechanism of the SODIUM/CITRATE symporter cits”. X-ray diffraction, 1 ligand (NA), 11 pockets (best druggability 0.82). MolNFT v1 #139278 on GenesisL1: 3D…
- PDB
- 5XAS
- Type
- protein
- Length
- 816 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Citrate-sodium symporter
- UniProt
- P31602
- Ligands
- NA
- Pockets
- 11 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 81% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Citrate-sodium symporter | protein | 409 | 79% helix, 0% strand | P31602 |
| B | Citrate-sodium symporter | protein | 407 | 82% helix, 0% strand | P31602 |
Ligands and binding sites
- NA · Sodium ion · metal · 2 copies · chains A, B
- FLC · Citrate anion · additive · 2 copies · chains A, B
- BOG · octyl beta-D-glucopyranoside · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 262 | 0.82 | 0.93 | 32 | empty |
| 2 | 539 | 0.73 | 0.81 | 51 | FLC |
| 3 | 375 | 0.65 | 0.79 | 53 | BOG |
| 4 | 250 | 0.52 | 0.75 | 34 | FLC |
| 5 | 102 | 0.44 | 0.78 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 2808 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 5XAS · Structural insights into the elevator-like mechanism of the sodium/citrate symporter CitS · the same entry in another collection · chain A against A, TM-score 1.00
- P31602 · AlphaFold monomer V2.0 prediction for citrate-sodium symporter (P31602) · a predicted model of the same protein · chain B 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 P31602
- Elsewhere: RCSB PDB 5XAS · PDBe 5XAS · UniProt P31602
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