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Structure of PDB 8fhw Chain B Binding Site BS01

Receptor Information >8fhw Chain B (length=432) Species: 235443 (Cryptococcus neoformans var. grubii H99) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] LIVVSNRLPVTIGGLVSALFTWIGWPGKDIPMDRETVNRRLLDEYCYPVY LSDELADSHYNGFSNSILWPLFHYHPGEMNFDAAHWLAYREANMRFADVV SSLVQAGDMVWVQDYHLMLLPMLLRSMIRIGFFLHTPFPSSEIYRILPVR REILLGVLQCDLIGFHTYDYARHFLSSCTRILGLETQPNGIEFDGRYCQV GTFPIGIDPNQFIEGLQKESIVKRLRSLEARFEGVKVIIGVDRLDYIKGI PQKLQALETFLTQHPEWIGKVVLVQLAIPSRQDVEEYQDLRACVNELVGR INGRFGTVESVPIHYMHKSVPFEELTAMYALADACLVTSTRDGMNLVAYE YISSQAERHGSMILSEFAGAAQSFNGSLLINPWDVQSTADAINQALTLSP QQRKTNWQKLFNYVSKYTAEAWGVSFVNELNR

Ligand information Ligand ID UDP InChI InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 InChIKey XCCTYIAWTASOJW-XVFCMESISA-N SMILES Software SMILES OpenEye OEToolkits 1.7.0 C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O CACTVS 3.370 O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O CACTVS 3.370 O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O OpenEye OEToolkits 1.7.0 C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)O)O)O ACDLabs 12.01 O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O Formula C9 H14 N2 O12 P2 Name URIDINE-5'-DIPHOSPHATE ChEMBL CHEMBL130266 DrugBank DB03435 ZINC ZINC000004490939 PDB chain 8fhw Chain B Residue 701 [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 8fhw Structures of trehalose-6-phosphate synthase, Tps1, from the fungal pathogen Cryptococcus neoformans: a target for novel antifungals Resolution 3.2 Å Binding residue (original residue number in PDB) R415 K420 I450 S491 V492 L497 E522 Binding residue (residue number reindexed from 1) R243 K248 I278 S319 V320 L325 E350 Annotation score 1

Enzymatic activity Enzyme Commision number ?

Gene Ontology Molecular Function GO:0003824 catalytic activity GO:0004805 trehalose-phosphatase activity GO:0016758 hexosyltransferase activity

	Biological Process
GO:0005992	trehalose biosynthetic process
GO:0034605	cellular response to heat
GO:0070413	trehalose metabolism in response to stress

	Cellular Component
GO:0005829	cytosol
GO:0005946	alpha,alpha-trehalose-phosphate synthase complex (UDP-forming)

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