MolNFT v1 · #105997 · protein
Crystal structure of ankb ankyrin repeats (R1-R9) in complex with NAV1.2 ankyrin binding domain
4RLY · NAV1.2 - ankb chimera: “Crystal structure of ankb ankyrin repeats (R1-R9) in complex with NAV1.2 ankyrin binding domain”. X-ray diffraction, 1 ligand (SO4), 2 pockets (best druggability 0.40). MolNFT v1 #105997 on GenesisL1: 3D…
- PDB
- 4RLY
- Type
- protein
- Length
- 308 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- NAV1.2 - ankb chimera
- UniProt
- A9JQD3, Q01484
- Ligands
- SO4
- Pockets
- 2 · best druggability 0.40
Structure
x-ray diffraction · 1 distinct chain · 52% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | NAV1.2 - ankb chimera | protein | 308 | 52% helix, 1% strand | A9JQD3, Q01484 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 7 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 55 | 0.40 | 0.81 | 17 | SO4 |
| 2 | 91 | 0.37 | 0.75 | 17 | empty |
Compared structures
- 4RLY · Crystal Structure of AnkB Ankyrin Repeats (R1-R9) in Complex with Nav1.2 Ankyrin Binding… · 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 A9JQD3
- Every structure of UniProt Q01484
- Elsewhere: RCSB PDB 4RLY · PDBe 4RLY · UniProt A9JQD3 · UniProt Q01484
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