MolNFT v1 · #120528 · protein
Crystal structures of the tric trimeric intracellular cation channel orthologue from sulfolobus solfataricus
5H35 · Fab heavy chain: “Crystal structures of the tric trimeric intracellular cation channel orthologue from sulfolobus solfataricus”. X-ray diffraction, 2 ligands (PX4, NA), 20 pockets (best druggability 0.88). MolNFT v1 #120528 on…
- PDB
- 5H35
- Type
- protein
- Length
- 1,895 residues
- Chains
- 9
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fab heavy chain; Fab light chain; Membrane protein tric
- UniProt
- A0A0E3MGX1
- Ligands
- PX4, NA
- Pockets
- 20 · best druggability 0.88
Structure
x-ray diffraction · 4 distinct chains · 24% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fab heavy chain | protein | 219 | 7% helix, 54% strand | — |
| B, G, I | Fab light chain | protein | 217 | 6% helix, 51% strand | — |
| C, D, E | Membrane protein tric | protein | 195 | 86% helix, 0% strand | A0A0E3MGX1 |
| F, H | Fab heavy chain | protein | 220 | 5% helix, 55% strand | — |
Ligands and binding sites
- PX4 · 1,2-dimyristoyl-sn-glycero-3-phosphocholine · ligand · 3 copies · chains C, D, E
- NA · Sodium ion · metal · chains C, D, E
- GOL · Glycerol · additive · 2 copies · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 869 | 0.88 | 0.89 | 81 | PX4 |
| 2 | 1016 | 0.75 | 0.77 | 119 | GOL |
| 3 | 69 | 0.69 | 0.95 | 21 | empty |
| 4 | 127 | 0.65 | 0.88 | 36 | empty |
| 5 | 563 | 0.64 | 0.76 | 64 | empty |
Interfaces
18 interfaces between chains.
- H–I · 1896 Ų buried · 19 hydrogen bonds · protein-protein
- A–B · 1869 Ų buried · 17 hydrogen bonds · protein-protein
- F–G · 1833 Ų buried · 17 hydrogen bonds · protein-protein
- C–E · 998 Ų buried · 9 hydrogen bonds · protein-protein
- C–D · 993 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 disulfide (disulfide).
Compared structures
- 5H35 · Crystal structures of the TRIC trimeric intracellular cation channel orthologue from… · 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 A0A0E3MGX1
- Elsewhere: RCSB PDB 5H35 · PDBe 5H35 · UniProt A0A0E3MGX1
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