MolNFT v1 · #27099 · protein
Crystal structure of crystal structure of PHOSPHOGLUCOSE/PHOSPHOMANNOSE PHOSPHOGLUCOSE/PHOSPHOMANNOSEISOMERASE from pyrobaculum aerophilum in complex with glucose 6-phosphate
1X9I · Glucose-6-phosphate isomerase: “Crystal structure of crystal structure of PHOSPHOGLUCOSE/PHOSPHOMANNOSE…”. X-ray diffraction, 1 ligand (G6Q), 8 pockets (best druggability 0.86). MolNFT v1 #27099 on GenesisL1: 3D structure, binding…
- PDB
- 1X9I
- Type
- protein
- Length
- 601 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glucose-6-phosphate isomerase
- EC
- 5.3.1.9, 5.3.1.8
- Ligands
- G6Q
- Pockets
- 8 · best druggability 0.86
Structure
x-ray diffraction · 2 distinct chains · 48% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glucose-6-phosphate isomerase (EC 5.3.1.9, 5.3.1.8) | protein | 300 | 48% helix, 17% strand | — |
| B | Glucose-6-phosphate isomerase (EC 5.3.1.9, 5.3.1.8) | protein | 301 | 48% helix, 17% strand | — |
Ligands and binding sites
- G6Q · Glucose-6-phosphate · ligand · 2 copies · chains A, B
- GOL · Glycerol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 592 | 0.86 | 0.91 | 57 | GOL |
| 2 | 125 | 0.53 | 0.82 | 21 | G6Q |
| 3 | 104 | 0.49 | 0.81 | 22 | G6Q |
| 4 | 98 | 0.36 | 0.74 | 19 | empty |
| 5 | 73 | 0.35 | 0.76 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 3263 Ų buried · 82 hydrogen bonds · protein-protein
Compared structures
- 1X9I · Crystal structure of Crystal structure of phosphoglucose/phosphomannose… · 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
- Elsewhere: RCSB PDB 1X9I · PDBe 1X9I
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