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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-(3-CHLOROPHENYL)SULFONYL-3-[3-[3-[(3-chlorophenyl) SULFONYLCARBAMOYLAMINO]PROPOXY]PROPYL]UREA

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: 5PZR
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: 93S
Pockets: 18 · best druggability 0.83

Structure

x-ray diffraction · 3 distinct chains · 39% helix, 25% 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, 25% strand	Q2TU34

Ligands and binding sites

93S · N,N'-{oxybis[(propane-3,1-diyl)carbamoyl]}bis(3-chlorobenzene-1-sulfonamide) · ligand · 2 copies · chains A, C, B, D

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

Pockets

18 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1124	0.83	0.84	118	empty
2	77	0.75	0.98	29	empty
3	68	0.74	0.98	25	empty
4	357	0.66	0.80	62	empty
5	323	0.64	0.80	65	empty

Interfaces

6 interfaces between chains.

C–D · 2371 Å² buried · 34 hydrogen bonds · protein-protein
A–B · 2348 Å² buried · 30 hydrogen bonds · protein-protein
A–C · 1307 Å² buried · 28 hydrogen bonds · protein-protein
B–D · 1304 Å² buried · 26 hydrogen bonds · protein-protein
B–C · 452 Å² buried · 4 hydrogen bonds · protein-protein

Compared structures

5PZR · 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 5PZR · PDBe 5PZR · UniProt Q2TU34

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