MolNFT v1 · #2800 · protein
The crystal structure of phosphoglucose ISOMERASE/AUTOCRINE motility FACTOR/NEUROLEUKIN complexed with its carbohydrate phosphate inhibitors and its substrate recognition mechanism
1C7R: “The crystal structure of phosphoglucose ISOMERASE/AUTOCRINE motility FACTOR/NEUROLEUKIN complexed with its…”. X-ray diffraction, 1 ligand (PA5), 2 pockets (best druggability 0.60). MolNFT v1 #2800 on GenesisL1: 3D structure, binding…
- PDB
- 1C7R
- Type
- protein
- Length
- 432 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphoglucose isomerase
- EC
- 5.3.1.9
- UniProt
- P13376
- Ligands
- PA5
- Pockets
- 2 · best druggability 0.60
Structure
x-ray diffraction · 1 distinct chain · 55% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphoglucose isomerase (EC 5.3.1.9) | protein | 432 | 55% helix, 14% strand | P13376 |
Ligands and binding sites
- PA5 · 5-phosphoarabinonic acid · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 338 | 0.60 | 0.77 | 37 | empty |
| 2 | 116 | 0.51 | 0.81 | 23 | empty |
Compared structures
- 1C7R · The crystal structure of phosphoglucose ISOMERASE/AUTOCRINE motility FACTOR/NEUROLEUKIN… · the same entry in another collection · chain A against A, TM-score 1.00
- P13376 · AlphaFold monomer V2.0 prediction for glucose-6-phosphate isomerase B (P13376) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P13376
- Elsewhere: RCSB PDB 1C7R · PDBe 1C7R · UniProt P13376
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