Structure of PDB 3fbp Chain B Binding Site BS01

Receptor Information

>3fbp Chain B (length=316) Species: 9823 (Sus scrofa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

FDTNIVTLTRFVMEQGRKARGTGEMTQLLNSLCTAVKAISTAVRKAGIDQ
VKKLDVLSNDLVINVLKSSFATCVLVTEEDKNAIIVEPEKRGKYVVCFDP
LDGSSNIDCLVSIGTIFGIYRKNSTDEPSEKDALQPGRNLVAAGYALYGS
ATMLVLAMVNGVNCFMLDPAIGEFILVDRNVKIKKKGSIYSINEGYAKEF
DPAITEYIQRKKFPPDNSAPYGARYVGSMVADVHRTLVYGGIFMYPANKK
SPKGKLRLLYECNPMAYVMEKAGGLATTGKEAVLDIVPTDIHQRAPIILG
SPEDVTELLEIYQKHA

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

3fbp Chain B Residue 336 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	3fbp Structure refinement of fructose-1,6-bisphosphatase and its fructose 2,6-bisphosphate complex at 2.8 A resolution.
Resolution	2.8 Å
Binding residue (original residue number in PDB)	D121 S124 Y215 G246 S247 M248 Y264 K269 K274
Binding residue (residue number reindexed from 1)	D102 S105 Y196 G227 S228 M229 Y245 K250 K255
Annotation score	3

Enzymatic activity

Catalytic site (original residue number in PDB)	D68 D74 E97 E98 D118 L120 D121 E280
Catalytic site (residue number reindexed from 1)	D49 D55 E78 E79 D99 L101 D102 E261
Enzyme Commision number	3.1.3.11: fructose-bisphosphatase.

Gene Ontology

	Molecular Function
GO:0016208	AMP 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
GO:0048029	monosaccharide 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:0006111	regulation of gluconeogenesis
GO:0016311	dephosphorylation
GO:0030308	negative regulation of cell growth
GO:0030388	fructose 1,6-bisphosphate metabolic process
GO:0045820	negative regulation of glycolytic process
GO:0046580	negative regulation of Ras protein signal transduction
GO:0071286	cellular response to magnesium ion
GO:0071466	cellular response to xenobiotic stimulus

	Cellular Component
GO:0005737	cytoplasm
GO:0005829	cytosol

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Cellular Component

External links

PDB	RCSB:3fbp, PDBe:3fbp, PDBj:3fbp
PDBsum	3fbp
PubMed	2157849
UniProt	P00636\|F16P1_PIG Fructose-1,6-bisphosphatase 1 (Gene Name=FBP1)

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