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Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(5-bromo-1,3-thiazol-2-yl)-3-(3-ethyl-4-PHENYLPHENYL)SULFONYLUREA

Analyse Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 5PZT
Type: protein
Length: 2,484 residues
Chains: 8
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: 947
Pockets: 20 · best druggability 0.81

Structure

x-ray diffraction · 2 distinct chains · 37% helix, 25% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, E	Fructose-1,6-bisphosphatase 1 (EC 3.1.3.11)	protein	312	37% helix, 25% strand	Q2TU34
B, C, D, F, G, H	Fructose-1,6-bisphosphatase 1 (EC 3.1.3.11)	protein	310	36% helix, 26% strand	Q2TU34

Ligands and binding sites

947 · N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-2-ethyl[1,1'-biphenyl]-4-sulfonamide · ligand · 8 copies · chains A, C, B, D, E, G, F, H

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

Pockets

20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	764	0.81	0.84	87	empty
2	717	0.80	0.84	81	empty
3	435	0.68	0.80	51	947
4	545	0.66	0.77	54	empty
5	389	0.66	0.79	43	947

Interfaces

9 interfaces between chains.

E–F · 2095 Å² buried · 13 hydrogen bonds · protein-protein
A–B · 2093 Å² buried · 18 hydrogen bonds · protein-protein
G–H · 2092 Å² buried · 16 hydrogen bonds · protein-protein
C–D · 2056 Å² buried · 19 hydrogen bonds · protein-protein
E–G · 1267 Å² buried · 15 hydrogen bonds · protein-protein

Compared structures

5PZT · Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase… · 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
Every structure of UniProt Q2TU34
Elsewhere: RCSB PDB 5PZT · PDBe 5PZT · UniProt Q2TU34

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