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Human impase with L-690330

Analyse Human impase with L-690330 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6GIU
Type: protein
Length: 550 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Inositol monophosphatase 1
EC: 3.1.3.25, 3.1.3.94
UniProt: P29218
Ligands: L69, MN
Pockets: 6 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 24% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Inositol monophosphatase 1 (EC 3.1.3.25, 3.1.3.94)	protein	275	35% helix, 24% strand	P29218

Ligands and binding sites

L69 · [1-(4-oxidanylphenoxy)-1-phosphono-ethyl]phosphonic acid · ligand · 2 copies · chains A, B
MN · Manganese (II) ion · metal · 7 copies · chains A, B
GOL · Glycerol · additive · 19 copies · chains A, B

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

Pockets

6 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	371	0.76	0.87	49	GOL, MN, L69
2	348	0.75	0.87	45	MN, L69, GOL
3	512	0.63	0.75	58	GOL
4	78	0.31	0.74	17	GOL
5	65	0.30	0.74	14	empty

Interfaces

1 interface between chains.

A–B · 1638 Å² buried · 23 hydrogen bonds · protein-protein

Compared structures

6GIU · Human IMPase with L-690330 · the same entry in another collection · chain A against A, TM-score 1.00
P29218 · AlphaFold monomer V2.0 prediction for inositol monophosphatase 1 (P29218) · 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 P29218
Elsewhere: RCSB PDB 6GIU · PDBe 6GIU · UniProt P29218

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