Structure of PDB 8fhw Chain D Binding Site BS02

Receptor Information
>8fhw Chain D (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 IDG6P
InChIInChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6+/m1/s1
InChIKeyNBSCHQHZLSJFNQ-DVKNGEFBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O
CACTVS 3.341O[CH]1O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341O[C@H]1O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)OP(=O)(O)O
ACDLabs 10.04O=P(O)(O)OCC1OC(O)C(O)C(O)C1O
FormulaC6 H13 O9 P
Name6-O-phosphono-alpha-D-glucopyranose;
ALPHA-D-GLUCOSE-6-PHOSPHATE;
6-O-phosphono-alpha-D-glucose;
6-O-phosphono-D-glucose;
6-O-phosphono-glucose
ChEMBL
DrugBankDB02007
ZINCZINC000003875375
PDB chain8fhw Chain D Residue 702 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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)		W151 R415 R453
Binding residue
(residue number reindexed from 1)		W69 R243 R281
Annotation score3
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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