MolNFT v1 · #66374 · protein
Structure of macrophage migration inhibitory factor (mif) with caffeic acid at 1.9A resolution
3HOF: “Structure of macrophage migration inhibitory factor (mif) with caffeic acid at 1.9A resolution”. X-ray diffraction, 1 ligand (DHC), 4 pockets (best druggability 0.84). MolNFT v1 #66374 on GenesisL1: 3D structure, binding sites and…
- 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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