Structure of PDB 1mz6 Chain A Binding Site BS01

Receptor Information
>1mz6 Chain A (length=620) Species: 5698 (Trypanosoma rangeli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LAPGSSRVELFKRKNSTVPFEESNGTIRERVVHSFRIPTIVNVDGVMVAT
ADARYETSFDNSFIETAVKYSVDDGATWNTQIAIKNSRASSVSRVMDATV
IVKGNKLYILVGSFNKTRNSWTQHRDGSDWEPLLVVGEVTKSAANGKTTA
TISWGKPVSLKPLFPAEFDGILTKEFVGGVGAAIVGSNGNLVYPVQIADM
GGRVFTKIMYSEDDGNTWKFAEGRSKFGCSEPAVLEWEGKLIINNRVDGN
RRLVYESSDMGKTWVEALGTLSHVWTNSPTSNQQDCQSSFVAVTIEGKRV
MLFTHPLNLKGRWMRDRLHLWMTDNQRIFDVGQISIGDENSGYSSVLYKD
DKLYSLHEINTNDVYSLVFVRFIGELQLMKSVVRTWKEEDNHLASICTPV
VPACGAAVPTAGLVGFLSHSANGSVWEDVYRCVDANVANAERVPNGLKFN
GVGGGAVWPVARQGQTRRYQFANYRFTLVATVTIDELPKGTSPLLGAGLE
GPGDAKLLGLSYDKNRQWRPLYGAAPASPTGSWELHKKYHVVLTMADRQG
SVYVDGQPLAGSGNTVVRGATLPDISHFYIGGPGAPTDSRVTVTNIVLYN
RRLNSSEIRTLFLSQDMIGT
Ligand information
Ligand IDDAN
InChIInChI=1S/C11H17NO8/c1-4(14)12-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-13/h2,5-6,8-10,13,15-17H,3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,8+,9+,10+/m0/s1
InChIKeyJINJZWSZQKHCIP-UFGQHTETSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C=1OC(C(O)C(O)CO)C(NC(=O)C)C(O)C=1
OpenEye OEToolkits 1.5.0CC(=O)NC1C(C=C(OC1C(C(CO)O)O)C(=O)O)O
OpenEye OEToolkits 1.5.0CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)O
CACTVS 3.341CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
CACTVS 3.341CC(=O)N[CH]1[CH](O)C=C(O[CH]1[CH](O)[CH](O)CO)C(O)=O
FormulaC11 H17 N O8
Name2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID;
Neu5Ac2en
ChEMBLCHEMBL96712
DrugBankDB03991
ZINCZINC000004096465
PDB chain1mz6 Chain A Residue 700 [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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PDB1mz6 Structural basis of sialyltransferase activity in trypanosomal sialidases
Resolution2.9 Å
Binding residue
(original residue number in PDB)		R36 D60 M96 D97 W121 R246 R315 Y343
Binding residue
(residue number reindexed from 1)		R36 D60 M96 D97 W121 R246 R315 Y343
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.1.18: exo-alpha-sialidase.
Gene Ontology
Molecular Function
GO:0004308 exo-alpha-sialidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
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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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1mz6, PDBe:1mz6, PDBj:1mz6
PDBsum1mz6
PubMed10619840
UniProtO44049

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