Structure of PDB 5dx9 Chain A Binding Site BS02

Receptor Information
>5dx9 Chain A (length=307) Species: 5207 (Cryptococcus neoformans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GTPALDTAQFTDAYKKANKRLLLFNYDGTLTPIVKVPSHAVPTERTRNAI
AALCKDPKNVVYLISGRDGDFLEEHWGHLDRLGLSAEHGSFVKQPGEEDF
INMTEALDMSWMSEVEEIFKYYTERTTGSTIEVKKASITWHYRNSDPDFG
EFQCKQALDLLESSLAPRRPIEVLVGKKNLEVRPLAVNKGEIVRRLMYEN
PDVDLIFCAGDDKTDEDMFRALRTIFPPGGVVDNNPVVMKPPVAVTSALE
PEEVAELPDVELTIRSKGVFATTVGPPAKRTLAGWHVTCPEEVVEAFESL
LEEIQVV
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 chain5dx9 Chain B Residue 2 [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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PDB5dx9 Structures of trehalose-6-phosphate phosphatase from pathogenic fungi reveal the mechanisms of substrate recognition and catalysis.
Resolution2.15 Å
Binding residue
(original residue number in PDB)		N24 Y25 D26 S64 G65 R66 E131 K133 T138 H140 E180 K188
Binding residue
(residue number reindexed from 1)		N25 Y26 D27 S65 G66 R67 E132 K134 T139 H141 E181 K189
Annotation score5
Enzymatic activity
Enzyme Commision number 2.4.1.15: alpha,alpha-trehalose-phosphate synthase (UDP-forming).
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
Biological Process
GO:0005992 trehalose biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5dx9, PDBe:5dx9, PDBj:5dx9
PDBsum5dx9
PubMed27307435
UniProtQ059G6

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