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Structure of PDB 3ifa Chain A Binding Site BS01

Receptor Information >3ifa Chain A (length=326) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] TDMLTLTRYVMEKGRQAKGTGELTQLLNSMLTAIKAISSAVRKAGLAHLY GIAGSVNVDQVKKLDVLSNSLVINMLQSSYSTCVLVSEENKDAIITAKEK RGKYVVCFDPLDGSSNIDCLASIGTIFAIYRKTSDEPSEKDALQCGRNIV AAGYALYGSATLVALSTGQGVDLFMLDPALGEFVLVEKDVKIKKKGKIYS LNEGYAKYFDAATTEYVQKKKFPEDGSAPYGARYVGSMVADVHRTLVYGG IFLYPANQKSPKGKLRLLYECNPVAYIIEQAGGLATTGTQPVLDVKPEAI HQRVPLILGSPEDVQEYLTCVQKNQA

Ligand information Ligand ID AMP InChI InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 InChIKey UDMBCSSLTHHNCD-KQYNXXCUSA-N SMILES Software SMILES CACTVS 3.370 Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O CACTVS 3.370 Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O OpenEye OEToolkits 1.7.6 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N ACDLabs 12.01 O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O OpenEye OEToolkits 1.7.6 c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N Formula C10 H14 N5 O7 P Name ADENOSINE MONOPHOSPHATE ChEMBL CHEMBL752 DrugBank DB00131 ZINC ZINC000003860156 PDB chain 3ifa Chain A Residue 339 [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] [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] PDB 3ifa Structure of E69Q mutant of human muscle fructose-1,6-bisphosphatase Resolution 1.93 Å Binding residue (original residue number in PDB) G21 A24 T27 L30 K112 Y113 R140 T177 Binding residue (residue number reindexed from 1) G14 A17 T20 L23 K103 Y104 R131 T167 Annotation score 1

Enzymatic activity Catalytic site (original residue number in PDB) D74 E97 E98 D118 L120 D121 E280 Catalytic site (residue number reindexed from 1) D65 E88 E89 D109 L111 D112 E270 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

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