MolNFT v1 · #119306 · protein
Crystal structure of the V243L mutant of human apoptosis inducing factor
5FS6 · Apoptosis-inducing factor 1, mitochondrial: “Crystal structure of the V243L mutant of human apoptosis inducing factor”. X-ray diffraction, 1 ligand (FAD), 9 pockets (best druggability 0.82). MolNFT v1 #119306 on GenesisL1: 3D…
- PDB
- 5FS6
- Type
- protein
- Length
- 905 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Apoptosis-inducing factor 1, mitochondrial
- EC
- 1.1.1.-
- UniProt
- O95831
- Ligands
- FAD
- Pockets
- 9 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 27% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Apoptosis-inducing factor 1, mitochondrial (EC 1.1.1.-) | protein | 454 | 27% helix, 30% strand | O95831 |
| B | Apoptosis-inducing factor 1, mitochondrial (EC 1.1.1.-) | protein | 451 | 27% helix, 31% strand | O95831 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 2 copies · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 991 | 0.82 | 0.83 | 99 | FAD |
| 2 | 986 | 0.82 | 0.83 | 91 | FAD |
| 3 | 85 | 0.76 | 0.98 | 26 | empty |
| 4 | 357 | 0.59 | 0.76 | 31 | empty |
| 5 | 286 | 0.55 | 0.76 | 26 | empty |
Interfaces
1 interface between chains.
- A–B · 737 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 5FS6 · Crystal structure of the V243L mutant of human apoptosis inducing factor · the same entry in another collection · chain A against A, TM-score 1.00
- O95831 · AlphaFold monomer V2.0 prediction for apoptosis-inducing factor 1, mitochondrial (O95831) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 O95831
- Elsewhere: RCSB PDB 5FS6 · PDBe 5FS6 · UniProt O95831
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