MolNFT v1 · #89419 · protein
Crystal structure of arabidopsis thaliana fatty-acid binding protein AT3G63170 (ATFAP1)
4DOO · Chalcone-flavanone isomerase family protein: “Crystal structure of arabidopsis thaliana fatty-acid binding protein AT3G63170 (ATFAP1)”. X-ray diffraction, 2 ligands (DAO, K), 4 pockets (best druggability 0.77). MolNFT v1 #89419 on…
- PDB
- 4DOO
- Type
- protein
- Length
- 406 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chalcone-flavanone isomerase family protein
- UniProt
- Q9M1X2
- Ligands
- DAO, K
- Pockets
- 4 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Chalcone-flavanone isomerase family protein | protein | 203 | 39% helix, 28% strand | Q9M1X2 |
Ligands and binding sites
- DAO · Lauric acid · ligand · 4 copies · chains A, B
- K · Potassium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 287 | 0.77 | 0.88 | 35 | DAO |
| 2 | 396 | 0.76 | 0.86 | 48 | DAO |
| 3 | 296 | 0.63 | 0.80 | 42 | empty |
| 4 | 93 | 0.35 | 0.74 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 559 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 4DOO · Crystal structure of Arabidopsis thaliana fatty-acid binding protein At3g63170 (AtFAP1) · the same entry in another collection · chain B against B, TM-score 1.00
- Q9M1X2 · AlphaFold monomer V2.0 prediction for fatty-acid-binding protein 1 (Q9M1X2) · a predicted model of the same protein · chain B against A, TM-score 0.98
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 Q9M1X2
- Elsewhere: RCSB PDB 4DOO · PDBe 4DOO · UniProt Q9M1X2
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