MolNFT v1 · #61366 · protein
Macrophage migration inhibitory factor (mif) at 1.25 a resolution
3DJH: “Macrophage migration inhibitory factor (mif) at 1.25 a resolution”. X-ray diffraction, 1 ligand (SO4), 4 pockets (best druggability 0.81). MolNFT v1 #61366 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3DJH
- Type
- protein
- Length
- 342 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
- SO4
- Pockets
- 4 · 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 | Macrophage migration inhibitory factor (EC 5.3.2.1) | protein | 114 | 39% helix, 31% strand | P14174 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 6 copies · chains A, B, C
- GOL · Glycerol · additive · 4 copies · chains A, C, B
- IPA · Isopropyl alcohol · additive · 3 copies · chains A, C, 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 572 | 0.81 | 0.87 | 63 | SO4 |
| 2 | 52 | 0.54 | 0.88 | 13 | GOL |
| 3 | 54 | 0.44 | 0.83 | 11 | GOL |
| 4 | 56 | 0.42 | 0.81 | 11 | GOL, IPA |
Interfaces
3 interfaces between chains.
- B–C · 1162 Ų buried · 18 hydrogen bonds · protein-protein
- A–C · 1122 Ų buried · 19 hydrogen bonds · protein-protein
- A–B · 1119 Ų buried · 18 hydrogen bonds · protein-protein
Compared structures
- 3DJH · Macrophage Migration Inhibitory Factor (MIF) at 1.25 A Resolution · the same entry in another collection · chain B against B, 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 3DJH · PDBe 3DJH · UniProt P14174
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