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Structure of PDB 7p1d Chain A Binding Site BS02

Receptor Information
>7p1d Chain A (length=384) Species: 341663 (Aspergillus terreus NIH2624) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DPAKDATPYHVEFPLFRSANMASADKLSTGVGFHSFRIPAVVRTTTGRIL
AFAEGRRHDNRDFGDINLVYKRTKTTSDNGATLSDWESLREVVGSGDGTW
GNPTPVVDcGTIYLFLSWNNGSYSQKGGDELPDGTITKKIDTTWYGRRHL
YLTTSTDDGNTWSKPQDLTKELTPDGWSWDAVGPGNGIKLSSGELVVPAM
GRNIVGRGTPGQRTWSVQRLNGAGAEGTVCETPDGKLYRNDRPSKAGYRI
VARGTLSDGFSDFASDSGLPDPACQGSVLKYNTDAPPRTIFLNSASSDSR
RQMRVRISYDADAAKYDYGRKLADAPVSGAGYEGGYSSMTKTADYKIGAL
VESDFFNDGTGGGSYRSIIWRRFNLSWILNGPNN
Ligand information
Ligand IDKDM
InChIInChI=1S/C9H16O9/c10-2-4(12)6(14)7-5(13)3(11)1-9(17,18-7)8(15)16/h3-7,10-14,17H,1-2H2,(H,15,16)/t3-,4+,5+,6+,7+,9+/m0/s1
InChIKeyCLRLHXKNIYJWAW-LSRLBZCKSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.6.1C1[C@@H]([C@H]([C@@H](O[C@]1(C(=O)O)O)[C@@H]([C@@H](CO)O)O)O)O
OpenEye OEToolkits 1.6.1C1C(C(C(OC1(C(=O)O)O)C(C(CO)O)O)O)O
CACTVS 3.352OC[CH](O)[CH](O)[CH]1O[C](O)(C[CH](O)[CH]1O)C(O)=O
CACTVS 3.352OC[C@@H](O)[C@@H](O)[C@@H]1O[C@](O)(C[C@H](O)[C@H]1O)C(O)=O
FormulaC9 H16 O9
Namedeamino-alpha-neuraminic acid;
alpha-deaminoneuraminic acid;
3-deoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid;
sialic acid;
(2R,4S,5R,6R)-2,4,5-TRIHYDROXY-6-[(1R,2R)-1,2,3-TRIHYDROXYPROPYL]OXANE-2-CARBOXYLIC-ACID
ChEMBL
DrugBank
ZINCZINC000004521632
PDB chain7p1d Chain A Residue 502 [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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PDB7p1d Kinetic and Structural Characterization of Sialidases (Kdnases) from Ascomycete Fungal Pathogens.
Resolution1.69 Å
Binding residue
(original residue number in PDB)		D84 N86 E110 G113 S114 G115
Binding residue
(residue number reindexed from 1)		D65 N67 E91 G94 S95 G96
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004308 exo-alpha-sialidase activity
GO:0046872 metal ion binding
Biological Process
GO:0006689 ganglioside catabolic process
GO:0009313 oligosaccharide catabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0016020 membrane
GO:0043231 intracellular membrane-bounded organelle

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