MolNFT v1 · #143655 · protein

Impase (AF2372) with 25 mm asp

6B61 · Fructose-1,6-BISPHOSPHATASE/INOSITOL-1-monophosphatase: “Impase (AF2372) with 25 mm asp”. X-ray diffraction, 3 ligands (ASP, MG, PO4), 4 pockets (best druggability 0.68). MolNFT v1 #143655 on GenesisL1: 3D structure, binding sites…

PDB: 6B61
Type: protein
Length: 504 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Fructose-1,6-BISPHOSPHATASE/INOSITOL-1-monophosphatase
UniProt: O30298
Ligands: ASP, MG, PO4
Pockets: 4 · best druggability 0.68

Structure

x-ray diffraction · 1 distinct chain · 31% helix, 30% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Fructose-1,6-BISPHOSPHATASE/INOSITOL-1-monophosphatase	protein	252	31% helix, 30% strand	O30298

Ligands and binding sites

ASP · Aspartic acid · ligand · 10 copies · chains A, B
MG · Magnesium ion · metal · 2 copies · chains A, B
PO4 · Phosphate ion · ion · 2 copies · chains A, B

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

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	428	0.68	0.80	45	PO4, ASP
2	433	0.68	0.80	45	ASP, PO4
3	56	0.27	0.74	13	empty
4	64	0.27	0.72	22	ASP

Interfaces

1 interface between chains.

A–B · 1205 Å² buried · 13 hydrogen bonds · protein-protein

Compared structures

6B61 · IMPase (AF2372) with 25 mM Asp · the same entry in another collection · chain A against A, TM-score 1.00
O30298 · AlphaFold monomer V2.0 prediction for fructose-1,6-BISPHOSPHATASE/INOSITOL-1-monophosphata… · a predicted model of the same protein · 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
Every structure of UniProt O30298
Elsewhere: RCSB PDB 6B61 · PDBe 6B61 · UniProt O30298

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