Structure of PDB 1nv7 Chain B Binding Site BS01

Receptor Information

>1nv7 Chain B (length=327) Species: 9823 (Sus scrofa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

NIVTLTRFVMEEGRKARGTGEMTQLLNSLCTAVKAISTAVRKAGIAHLYG
IAGSTNVTGDQVKKLDVLSNDLVINVLKSSFATCVLVSEEDKNAIIVEPE
KRGKYVVCFDPLDGSSNIDCLVSIGTIFGIYRKNSTDEPSEKDALQPGRN
LVAAGYALYGSATMLVLAMVNGVNCFMLDPAIGEFILVDRDVKIKKKGSI
YSINEGYAKEFDPAITEYIQRKKFPPDNSAPYGARYVGSMVADVHRTLVY
GGIFMYPANKKSPKGKLRLLYECNPMAYVMEKAGGLATTGKEAVLDIVPT
DIHQRAPIILGSPEDVTELLEIYQKHA

Ligand information

Ligand ID

F6P

InChI

InChI=1S/C6H13O9P/c7-2-6(10)5(9)4(8)3(15-6)1-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6-/m1/s1

InChIKey

BGWGXPAPYGQALX-ARQDHWQXSA-N

SMILES

Software	SMILES
ACDLabs 10.04	O=P(O)(O)OCC1OC(O)(CO)C(O)C1O
OpenEye OEToolkits 1.5.0	C(C1C(C(C(O1)(CO)O)O)O)OP(=O)(O)O
OpenEye OEToolkits 1.5.0	C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O
CACTVS 3.341	OC[C]1(O)O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O
CACTVS 3.341	OC[C@@]1(O)O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@@H]1O

Formula

C6 H13 O9 P

Name

6-O-phosphono-beta-D-fructofuranose;
FRUCTOSE-6-PHOSPHATE;
6-O-phosphono-beta-D-fructose;
6-O-phosphono-D-fructose;
6-O-phosphono-fructose

PDB chain

1nv7 Chain B Residue 4336 [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	1nv7 Interaction of Tl+ with product complexes of fructose-1,6-bisphosphatase
Resolution	2.15 Å
Binding residue (original residue number in PDB)	D2121 G2122 N2212 Y2215 Y2244 S2247 M2248 Y2264 K2274 E2280
Binding residue (residue number reindexed from 1)	D113 G114 N204 Y207 Y236 S239 M240 Y256 K266 E272
Annotation score	5

Enzymatic activity

Catalytic site (original residue number in PDB)	D2068 D2074 E2097 E2098 D2118 L2120 D2121 E2280
Catalytic site (residue number reindexed from 1)	D60 D66 E89 E90 D110 L112 D113 E272
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:1nv7, PDBe:1nv7, PDBj:1nv7
PDBsum	1nv7
PubMed	12595529
UniProt	P00636\|F16P1_PIG Fructose-1,6-bisphosphatase 1 (Gene Name=FBP1)

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