Research workbench
Structure of macrophage migration inhibitory factor (mif) with caffeic acid at 1.9A resolution
Analyse Structure of macrophage migration inhibitory factor (mif) with caffeic acid at… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3HOF
- Type
- protein
- Length
- 349 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Macrophage migration inhibitory factor
- EC
- 5.3.2.1
- UniProt
- P14174
- Ligands
- DHC
- Pockets
- 4 · best druggability 0.84
Structure
x-ray diffraction · 3 distinct chains · 38% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Macrophage migration inhibitory factor (EC 5.3.2.1) | protein | 118 | 37% helix, 30% strand | P14174 |
| B | Macrophage migration inhibitory factor (EC 5.3.2.1) | protein | 114 | 39% helix, 31% strand | P14174 |
| C | Macrophage migration inhibitory factor (EC 5.3.2.1) | protein | 117 | 38% helix, 30% strand | P14174 |
Ligands and binding sites
- DHC · Caffeic acid · ligand · chains B, C
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 | 476 | 0.84 | 0.90 | 50 | empty |
| 2 | 60 | 0.57 | 0.89 | 13 | DHC |
| 3 | 59 | 0.52 | 0.86 | 13 | empty |
| 4 | 129 | 0.38 | 0.73 | 18 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1254 Ų buried · 20 hydrogen bonds · protein-protein
- A–C · 1193 Ų buried · 18 hydrogen bonds · protein-protein
- B–C · 1158 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 3HOF · Structure of macrophage migration inhibitory factor (MIF) with caffeic acid at 1.9A… · 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 P14174
- Elsewhere: RCSB PDB 3HOF · PDBe 3HOF · UniProt P14174
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