MolNFT v1 · #23442 · protein

Crystal structure of mouse phosphoglucose isomerase

1U0E · Glucose-6-phosphate isomerase: “Crystal structure of mouse phosphoglucose isomerase”. X-ray diffraction, 1 ligand (SO4), 13 pockets (best druggability 0.76). MolNFT v1 #23442 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 1U0E
Type: protein
Length: 1,112 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
UniProt: P06745
Ligands: SO4
Pockets: 13 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 55% helix, 13% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Glucose-6-phosphate isomerase (EC 5.3.1.9)	protein	556	55% helix, 13% strand	P06745

Ligands and binding sites

SO4 · Sulfate ion · ion · 10 copies · chains A, B
GOL · Glycerol · additive · 7 copies · chains A, B
BME · Beta-mercaptoethanol · additive · 5 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

13 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1030	0.76	0.78	65	BME, GOL
2	485	0.71	0.81	52	SO4
3	391	0.69	0.81	53	SO4
4	156	0.42	0.74	22	empty
5	57	0.42	0.82	17	empty

Interfaces

1 interface between chains.

A–B · 6677 Å² buried · 89 hydrogen bonds · protein-protein

Compared structures

1U0E · Crystal structure of mouse phosphoglucose isomerase · the same entry in another collection · chain A against A, TM-score 1.00
P06745 · AlphaFold monomer V2.0 prediction for glucose-6-phosphate isomerase (P06745) · 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 P06745
Elsewhere: RCSB PDB 1U0E · PDBe 1U0E · UniProt P06745

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