Structure of PDB 5q0c Chain D Binding Site BS02

Receptor Information

>5q0c Chain D (length=322) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

TDMLTLTRYVMEKGRQAKGTGELTQLLNSMLTAIKAISSAVRKAGLAHLY
GIAGSVNVKLDVLSNSLVINMLQSSYSTCVLVSEENKDAIITAKEKRGKY
VVCFDPLDGSSNIDCLASIGTIFAIYRKTSEDEPSEKDALQCGRNIVAAG
YALYGSATLVALSTGQGVDLFMLDPALGEFVLVEKDVKIKKKGKIYSLNE
GYAKYFDAATTEYVQKKKFPEDGSAPYGARYVGSMVADVHRTLVYGGIFL
YPANQKSPKGKLRLLYECNPVAYIIEQAGGLATTGTQPVLDVKPEAIHQR
VPLILGSPEDVQEYLTCVQKNQ

Ligand information

Ligand ID

FDP

InChI

InChI=1S/C6H14O12P2/c7-2-6(18-20(13,14)15)5(9)4(8)3(17-6)1-16-19(10,11)12/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4-,5+,6+/m1/s1

InChIKey

YXWOAJXNVLXPMU-ZXXMMSQZSA-N

SMILES

Software	SMILES
ACDLabs 10.04	O=P(OC1(OC(C(O)C1O)COP(=O)(O)O)CO)(O)O
OpenEye OEToolkits 1.5.0	C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OP(=O)(O)O)O)O)OP(=O)(O)O
CACTVS 3.341	OC[C]1(O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O)O[P](O)(O)=O
CACTVS 3.341	OC[C@]1(O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@@H]1O)O[P](O)(O)=O
OpenEye OEToolkits 1.5.0	C(C1C(C(C(O1)(CO)OP(=O)(O)O)O)O)OP(=O)(O)O

Formula

C6 H14 O12 P2

Name

2,6-di-O-phosphono-beta-D-fructofuranose;
FRUCTOSE-2,6-DIPHOSPHATE;
2,6-di-O-phosphono-beta-D-fructose;
2,6-di-O-phosphono-D-fructose;
2,6-di-O-phosphono-fructose

PDB chain

5q0c Chain D Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

Global view

Local view

Structure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]

PDB	5q0c 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-[5-(4-methoxyphenyl)thiophen-2-yl]sulfonylurea and with f2,6p
Resolution	2.4 Å
Binding residue (original residue number in PDB)	D122 G123 S124 S125 N213 Y216 Y245 M249 Y265 K275 E281
Binding residue (residue number reindexed from 1)	D108 G109 S110 S111 N199 Y202 Y231 M235 Y251 K261 E267
Annotation score	3

Enzymatic activity

Enzyme Commision number

3.1.3.11: fructose-bisphosphatase.

Gene Ontology

	Molecular Function
GO:0005515	protein binding
GO:0016787	hydrolase activity
GO:0016791	phosphatase activity
GO:0042132	fructose 1,6-bisphosphate 1-phosphatase activity
GO:0042578	phosphoric ester hydrolase activity
GO:0042802	identical protein binding
GO:0046872	metal ion binding

	Biological Process
GO:0005975	carbohydrate metabolic process
GO:0005986	sucrose biosynthetic process
GO:0006000	fructose metabolic process
GO:0006002	fructose 6-phosphate metabolic process
GO:0006094	gluconeogenesis
GO:0030388	fructose 1,6-bisphosphate metabolic process

	Cellular Component
GO:0005634	nucleus
GO:0005737	cytoplasm
GO:0005829	cytosol
GO:0005886	plasma membrane
GO:0030018	Z disc
GO:0070062	extracellular exosome
GO:0070161	anchoring junction

View graph for
Molecular Function

View graph for
Biological Process

View graph for
Cellular Component

External links

PDB	RCSB:5q0c, PDBe:5q0c, PDBj:5q0c
PDBsum	5q0c
PubMed
UniProt	O00757\|F16P2_HUMAN Fructose-1,6-bisphosphatase isozyme 2 (Gene Name=FBP2)

[Back to BioLiP]