Structure of PDB 1nv1 Chain A Binding Site BS01

Receptor Information

>1nv1 Chain A (length=331) Species: 9823 (Sus scrofa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

DTNIVTLTRFVMEEGRKARGTGEMTQLLNSLCTAVKAISTAVRKAGIAHL
YGIAGSTNVTGDQVKKLDVLSNDLVINVLKSSFATCVLVSEEDKNAIIVE
PEKRGKYVVCFDPLDGSSNIDCLVSIGTIFGIYRKNSTDEPSEKDALQPG
RNLVAAGYALYGSATMLVLAMVNGVNCFMLDPAIGEFILVDRDVKIKKKG
SIYSINEGYAKEFDPAITEYIQRKKFPPDNSAPYGARYVGSMVADVHRTL
VYGGIFMYPANKKSPKGKLRLLYECNPMAYVMEKAGGLATTGKEAVLDIV
PTDIHQRAPIILGSPEDVTELLEIYQKHAAK

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

1nv1 Chain A Residue 2339 [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	1nv1 Interaction of Tl+ with product complexes of fructose-1,6-bisphosphatase
Resolution	1.9 Å
Binding residue (original residue number in PDB)	D1121 N1212 Y1215 Y1244 G1246 M1248 Y1264 K1274 L1275 E1280
Binding residue (residue number reindexed from 1)	D115 N206 Y209 Y238 G240 M242 Y258 K268 L269 E274
Annotation score	5

Enzymatic activity

Catalytic site (original residue number in PDB)	D1068 D1074 E1097 E1098 D1118 L1120 D1121 E1280
Catalytic site (residue number reindexed from 1)	D62 D68 E91 E92 D112 L114 D115 E274
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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External links

PDB	RCSB:1nv1, PDBe:1nv1, PDBj:1nv1
PDBsum	1nv1
PubMed	12595529
UniProt	P00636\|F16P1_PIG Fructose-1,6-bisphosphatase 1 (Gene Name=FBP1)

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