MolNFT v1 · #116770 · protein
Crystal structure of striga KAI2-like protein in complex with karrikin
5DNU · SHKAI2IB: “Crystal structure of striga KAI2-like protein in complex with karrikin”. X-ray diffraction, 3 ligands (KKN, BEZ, NA), 1 pocket (best druggability 0.75). MolNFT v1 #116770 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5DNU
- Type
- protein
- Length
- 267 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SHKAI2IB
- Ligands
- KKN, BEZ, NA
- Pockets
- 1 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SHKAI2IB | protein | 267 | 45% helix, 17% strand | — |
Ligands and binding sites
- KKN · 3-methyl-2H-furo[2,3-c]pyran-2-one · ligand · chains A
- BEZ · Benzoic acid · ligand · chains A
- NA · Sodium ion · metal · 3 copies · chains A
- FMT · Formic acid · additive · 9 copies · chains A
- EDO · 1,2-ethanediol · additive · 5 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 67 | 0.75 | 0.98 | 19 | KKN |
Compared structures
- 5DNU · Crystal structure of Striga KAI2-like protein in complex with karrikin · 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 5DNU · PDBe 5DNU
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