MolNFT v1 · #14631 · protein
Crystal structure of macrophage migration inhibitory factor complexed with (E)-2-fluoro-P-hydroxycinnamate
1MFI · Protein (macrophage migration inhibitory factor): “Crystal structure of macrophage migration inhibitory factor complexed with (E)-2-fluoro-P-hydroxycinnamate”. X-ray diffraction, 1 ligand (FHC), 3 pockets (best druggability 0.81).…
- PDB
- 1MFI
- Type
- protein
- Length
- 342 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein (macrophage migration inhibitory factor)
- UniProt
- P34884
- Ligands
- FHC
- Pockets
- 3 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Protein (macrophage migration inhibitory factor) | protein | 114 | 39% helix, 31% strand | P34884 |
Ligands and binding sites
- FHC · 2-fluoro-3-(4-hydroxyphenyl)-2E-propeneoate · ligand · 3 copies · chains A, C, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 658 | 0.81 | 0.85 | 65 | empty |
| 2 | 63 | 0.54 | 0.87 | 13 | FHC |
| 3 | 62 | 0.50 | 0.85 | 12 | FHC |
Interfaces
3 interfaces between chains.
- A–C · 1141 Ų buried · 20 hydrogen bonds · protein-protein
- B–C · 1140 Ų buried · 23 hydrogen bonds · protein-protein
- A–B · 1107 Ų buried · 21 hydrogen bonds · protein-protein
Compared structures
- 1MFI · Crystal structure of macrophage migration inhibitory factor complexed with… · the same entry in another collection · chain A against A, TM-score 1.00
- P34884 · AlphaFold monomer V2.0 prediction for macrophage migration inhibitory factor (P34884) · a predicted model of the same protein · chain A 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 P34884
- Elsewhere: RCSB PDB 1MFI · PDBe 1MFI · UniProt P34884
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