MolNFT v1 · #184846 · protein
Crystal structure of the trimeric ectodomain of archaeal FUSEXIN1 (FSX1)
7P4L: “Crystal structure of the trimeric ectodomain of archaeal FUSEXIN1 (FSX1)”. X-ray diffraction, 3 ligands (CA, NA, CL), 20 pockets (best druggability 0.86). MolNFT v1 #184846 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 7P4L
- Type
- protein
- Length
- 1,432 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- FUSEXIN1
- Ligands
- CA, NA, CL
- Pockets
- 20 · best druggability 0.86
Structure
x-ray diffraction · 3 distinct chains · 12% helix, 48% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | FUSEXIN1 | protein | 477 | 12% helix, 47% strand | — |
| B | FUSEXIN1 | protein | 478 | 12% helix, 48% strand | — |
| C | FUSEXIN1 | protein | 477 | 12% helix, 49% strand | — |
Ligands and binding sites
- CA · Calcium ion · metal · 31 copies · chains A, B, C
- NA · Sodium ion · metal · 14 copies · chains A, B, C
- CL · Chloride ion · ion · 21 copies · chains A, B, 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, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 563 | 0.86 | 0.92 | 50 | empty |
| 2 | 1105 | 0.82 | 0.83 | 97 | NA |
| 3 | 100 | 0.78 | 0.98 | 18 | NA |
| 4 | 521 | 0.74 | 0.82 | 54 | CA, CL, NA |
| 5 | 649 | 0.73 | 0.80 | 78 | NA, CA, CL |
Interfaces
3 interfaces between chains.
- A–B · 3752 Ų buried · 85 hydrogen bonds · protein-protein
- B–C · 3685 Ų buried · 77 hydrogen bonds · protein-protein
- A–C · 3662 Ų buried · 79 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 disulfide (disulfide).
Compared structures
- 7P4L · Crystal structure of the trimeric ectodomain of archaeal Fusexin1 (Fsx1) · 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
- Elsewhere: RCSB PDB 7P4L · PDBe 7P4L
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