Structure of PDB 5oar Chain D Binding Site BS01

Receptor Information
>5oar Chain D (length=498) Species: 5062 (Aspergillus oryzae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SNSLQYVNVQVKDIEADLQHGVDESYTLDVEEDSDTITINAETVWGALHA
FTTLQQLVISDGHGGLIIEEPVNIKDSPLYPYRGIMLDTGRNFVSLPKIF
EQLEGMSLSKLNVLHWHIDDAQSWPIWVDVYPEMVKDAYSPHEIYSRNDV
RNIVNYARARGIRVIPEIDMPSHSSSGWKQVDPEMVTCTDSWWSNDDWPL
HTAVEPNPGQLDIIYNKTYEVVGNVYKELSDIFPDHWFHVGGDEIQPNCF
NFSTHVTKWFAEDPSRTYHDLAQYWVDHAVPIFQNYSQERRLVMWEDIAL
SADNAHDVPKNIVMQSWNNGLEYISNLTARGYDVIVSSSDFLYLDCGHGG
FVTNDPRYNVMANPDANTPNFNYGGNGGSWCAPYKTWQRIYDYDFTLNLT
ETQAKHIIGATAPLWGEQVDDINVSSMFWPRAAALAELVWSGNRDANGNK
RTTEMTQRILNFREYLVANGVQAQALVPKYCLQHPHACDLYRNQAAIQ
Ligand information
Ligand IDTBR
InChIInChI=1S/12BrH.6Ta/h12*1H;;;;;;/q;;;;;;;;;;;;;;;;;+1/p-1
InChIKeyYWYIQTPPCOBSGN-UHFFFAOYSA-M
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0Br[Ta]123456Br[Ta]17891%10[Ta]22%11(Br7)[Ta]337%12%13([Ta]484([Ta]923(Br%11)(Br1)(Br4)(Br7)Br%12)(Br5)(Br%10)Br%13)Br6
CACTVS 3.370Br|1[Ta]|2|3|4|5|Br[Ta]|6|7|89%10|2|Br[Ta]|%11|%12|%13|%14|1|3|6Br|[Ta]|%15|%16|%17|7|%11(Br|[Ta]|%18|4|%12|%15(Br|%13)(Br|%14)|Br[Ta]|5|8|%16|%18(|Br9)(Br)Br|%17)|Br%10
FormulaBr12 Ta6
NameHEXATANTALUM DODECABROMIDE;
DODECABROMOHEXATANTALUM
ChEMBL
DrugBankDB04119
ZINC
PDB chain5oar Chain D Residue 705 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5oar Crystal structure of native beta-N-acetylhexosaminidase isolated from Aspergillus oryzae sheds light onto its substrate specificity, high stability, and regulation by propeptide.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		N318 Y321 E322
Binding residue
(residue number reindexed from 1)		N216 Y219 E220
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D345 E346
Catalytic site (residue number reindexed from 1) D243 E244
Enzyme Commision number 3.2.1.52: beta-N-acetylhexosaminidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0004563 beta-N-acetylhexosaminidase activity
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5oar, PDBe:5oar, PDBj:5oar
PDBsum5oar
PubMed29239122
UniProtQ8J2T0|HEXA_ASPOZ Beta-hexosaminidase (Gene Name=nagA)

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