MolNFT v1 · #145002 · protein
Macrophage migration inhibitory factor in complex with a pyrazole inhibitor (8G)
6CB5: “Macrophage migration inhibitory factor in complex with a pyrazole inhibitor (8G)”. X-ray diffraction, 2 ligands (EV7, SO4), 4 pockets (best druggability 0.81). MolNFT v1 #145002 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 6CB5
- 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, 5.3.3.12
- UniProt
- P14174
- Ligands
- EV7, 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, 5.3.3.12) | protein | 114 | 39% helix, 31% strand | P14174 |
Ligands and binding sites
- EV7 · 2-[(naphthalen-2-yl)oxy]-5-(1H-pyrazol-4-yl)benzoic acid · ligand · 3 copies · chains A, C, B
- SO4 · Sulfate ion · ion · 2 copies · chains A, 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, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 648 | 0.81 | 0.86 | 67 | SO4 |
| 2 | 86 | 0.56 | 0.85 | 13 | EV7 |
| 3 | 66 | 0.54 | 0.86 | 12 | EV7 |
| 4 | 82 | 0.54 | 0.85 | 14 | EV7 |
Interfaces
3 interfaces between chains.
- B–C · 1118 Ų buried · 18 hydrogen bonds · protein-protein
- A–C · 1101 Ų buried · 18 hydrogen bonds · protein-protein
- A–B · 1097 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 6CB5 · Macrophage Migration Inhibitory Factor in complex with a Pyrazole Inhibitor (8g) · 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 6CB5 · PDBe 6CB5 · UniProt P14174
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.