MolNFT v1 · #131255 · protein

Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor [5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-YL]FURAN-2-YL]PHOSPHONIC acid

5PZU: “Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed…”. X-ray diffraction, 1 ligand (94D), 20 pockets (best druggability 0.82). MolNFT v1 #131255 on GenesisL1: 3D structure…

PDB: 5PZU
Type: protein
Length: 1,271 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Fructose-1,6-bisphosphatase 1
EC: 3.1.3.11
UniProt: Q2TU34
Ligands: 94D
Pockets: 20 · best druggability 0.82

Structure

x-ray diffraction · 3 distinct chains · 39% helix, 24% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Fructose-1,6-bisphosphatase 1 (EC 3.1.3.11)	protein	319	39% helix, 24% strand	Q2TU34
B, D	Fructose-1,6-bisphosphatase 1 (EC 3.1.3.11)	protein	317	39% helix, 25% strand	Q2TU34
C	Fructose-1,6-bisphosphatase 1 (EC 3.1.3.11)	protein	318	39% helix, 24% strand	Q2TU34

Ligands and binding sites

94D · {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid · ligand · 4 copies · chains A, B, C, D

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

Pockets

20 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	847	0.82	0.85	92	empty
2	664	0.68	0.76	73	empty
3	342	0.65	0.80	63	empty
4	59	0.62	0.92	32	empty
5	310	0.61	0.78	37	empty

Interfaces

6 interfaces between chains.

A–B · 2382 Å² buried · 32 hydrogen bonds · protein-protein
C–D · 2381 Å² buried · 31 hydrogen bonds · protein-protein
B–D · 1265 Å² buried · 32 hydrogen bonds · protein-protein
A–C · 1250 Å² buried · 30 hydrogen bonds · protein-protein
B–C · 448 Å² buried · 5 hydrogen bonds · protein-protein

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 Q2TU34
Elsewhere: RCSB PDB 5PZU · PDBe 5PZU · UniProt Q2TU34

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