Structure of PDB 8fhw Chain A Binding Site BS01

Receptor Information
>8fhw Chain A (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 IDUDP
InChIInChI=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
InChIKeyXCCTYIAWTASOJW-XVFCMESISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C1=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 3.370O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O
CACTVS 3.370O[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 1.7.0C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)O)O)O
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O
FormulaC9 H14 N2 O12 P2
NameURIDINE-5'-DIPHOSPHATE
ChEMBLCHEMBL130266
DrugBankDB03435
ZINCZINC000004490939
PDB chain8fhw Chain A Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8fhw Structures of trehalose-6-phosphate synthase, Tps1, from the fungal pathogen Cryptococcus neoformans: a target for novel antifungals
Resolution3.2 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 score1
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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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8fhw, PDBe:8fhw, PDBj:8fhw
PDBsum8fhw
PubMed36993618
UniProtJ9VJZ1

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