MolNFT v2 · #10446 · protein
Crystal structure of human autocrine motility factor complexed with an inhibitor
1IRI: “Crystal structure of human autocrine motility factor complexed with an inhibitor”. X-ray diffraction at 2.4, 1 ligand (E4P), 20 pockets (best druggability 0.78). MolNFT v2 #10446 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 1IRI
- Type
- protein
- Length
- 2,228 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.4
- Source
- Homo sapiens
- Molecule
- autocrine motility factor
- EC
- 5.3.1.9
- UniProt
- P06744
- Ligands
- E4P
- Pockets
- 20 · best druggability 0.78
Structure
x-ray diffraction · resolution 2.4 · 1 distinct chain · 56% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | autocrine motility factor (EC 5.3.1.9) | protein | 557 | 56% helix, 13% strand | P06744 |
Ligands and binding sites
- E4P · Erythose-4-phosphate · sugar · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1129 | 0.78 | 0.80 | 63 | empty |
| 2 | 1065 | 0.78 | 0.80 | 68 | empty |
| 3 | 219 | 0.70 | 0.87 | 39 | E4P |
| 4 | 326 | 0.70 | 0.83 | 44 | E4P |
| 5 | 282 | 0.69 | 0.84 | 39 | E4P |
Interfaces
3 interfaces between chains.
- A–B · 6682 Ų buried · 95 hydrogen bonds · protein-protein
- C–D · 6659 Ų buried · 101 hydrogen bonds · protein-protein
- A–C · 56 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 1IRI · Crystal structure of human autocrine motility factor complexed with an inhibitor · the same entry in another collection · chain D against D, TM-score 1.00
- P06744 · AlphaFold monomer V2.0 prediction for glucose-6-phosphate isomerase (P06744) · a predicted model of the same protein · chain B 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 P06744
- Elsewhere: RCSB PDB 1IRI · PDBe 1IRI · UniProt P06744
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.