Structure of PDB 1h49 Chain B Binding Site BS01

Receptor Information
>1h49 Chain B (length=490) Species: 4577 (Zea mays) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLSPSEIPQRDWFPSDFTFGAATSAYQIEGAWNEDGKGESNWDHFCHNHP
ERILDGSNSDIGANSYHMYKTDVRLLKEMGMDAYRFSISWPRILPKGTKE
GGINPDGIKYYRNLINLLLENGIEPYVTIFHWDVPQALEEKYGGFLDKSH
KSIVEDYTYFAKVCFDNFGDKVKNWLTFNDPQTFTSVSYGTGVFAPGRCS
PGLDCAYPTGNSLVEPYTAGHNILLAHAEAVDLYNKHYKRDDTRIGLAFD
VMGRVPYGTSFLDKQAEERSWDINLGWFLEPVVRGDYPFSMRSLARERLP
FFKDEQKEKLAGSYNMLGLNYYTSRFSKNIDISPNYSPVLNTDDAYASQE
VNGPDGKPIGPPMGNPWIYMYPEGLKDLLMIMKNKYGNPPIYITENGIGD
VDTKETPLPMEAALNDYKRLDYIQRHIATLKESIDLGSNVQGYFAWSLLD
NFEWFAGFTERYGIVYVDRNNNCTRYMKESAKWLKEFNTA
Ligand information
Ligand IDHBO
InChIInChI=1S/C9H9NO5/c1-14-5-2-3-6-7(4-5)15-9(12)8(11)10(6)13/h2-4,9,12-13H,1H3/t9-/m1/s1
InChIKeyGDNZNIJPBQATCZ-SECBINFHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0COc1ccc2c(c1)O[C@H](C(=O)N2O)O
ACDLabs 10.04O=C1N(O)c2c(OC1O)cc(OC)cc2
CACTVS 3.341COc1ccc2N(O)C(=O)[C@H](O)Oc2c1
OpenEye OEToolkits 1.5.0COc1ccc2c(c1)OC(C(=O)N2O)O
CACTVS 3.341COc1ccc2N(O)C(=O)[CH](O)Oc2c1
FormulaC9 H9 N O5
Name2,4-DIHYDROXY-7-(METHYLOXY)-2H-1,4-BENZOXAZIN-3(4H)-ONE
ChEMBL
DrugBankDB02185
ZINCZINC000002018620
PDB chain1h49 Chain A Residue 1502 [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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PDB1h49 Mutational and Structural Analysis of Aglycone Specificity in Maize and Sorghum Beta-Glucosidases
Resolution1.9 Å
Binding residue
(original residue number in PDB)		T500 A501
Binding residue
(residue number reindexed from 1)		T489 A490
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) R96 H142 D191 T194 N331 Y333 E406
Catalytic site (residue number reindexed from 1) R85 H131 D180 T183 N320 Y322 E395
Enzyme Commision number 3.2.1.182: 4-hydroxy-7-methoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl glucoside beta-D-glucosidase.
3.2.1.21: beta-glucosidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0008422 beta-glucosidase activity
GO:0015923 mannosidase activity
GO:0015925 galactosidase activity
GO:0015928 fucosidase activity
GO:0016162 cellulose 1,4-beta-cellobiosidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0097599 xylanase activity
GO:0102726 DIMBOA glucoside beta-D-glucosidase activity
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0009736 cytokinin-activated signaling pathway
Cellular Component
GO:0009507 chloroplast

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1h49, PDBe:1h49, PDBj:1h49
PDBsum1h49
PubMed12684498
UniProtP49235|HGGL1_MAIZE 4-hydroxy-7-methoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl glucoside beta-D-glucosidase 1, chloroplastic (Gene Name=GLU1)

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