Structure of PDB 1v08 Chain A Binding Site BS01

Receptor Information

>1v08 Chain A (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
KSIVEDYTYFAKVCFDNFGDKVKNWLTFNDPQTFTSFSYGTGVFAPGRCS
PGLDCAYPTGNSLVEPYTAGHNILLAHAEAVDLYNKHYKRDDTRIGLAFD
VMGRVPYGTSFLDKQAEERSWDINLGWFLEPVVRGDYPFSMRSLARERLP
FFKDEQKEKLAGSYNMLGLNYYTSRFSKNIDISPNYSPVLNTDDAYASQE
VNGPDGKPIGPPMGNPWIYMYPEGLKDLLMIMKNKYGNPPIYITENGIGD
VDTKETPLPMEAALNDYKRLDYIQRHIATLKESIDLGSNVQGYFAWSLLD
NFEWFAGFTERYGIVYVDRNNNCTRYMKESAKWLKEFNTA

Ligand information

Ligand ID

NTZ

InChI

InChI=1S/C6H10N4O4/c11-1-2-3(12)4(13)5(14)6-7-8-9-10(2)6/h2-5,11-14H,1H2/t2-,3-,4+,5-/m1/s1

InChIKey

UCJXQRFJERKPOZ-SQOUGZDYSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	C([C@@H]1[C@H]([C@@H]([C@H](c2n1nnn2)O)O)O)O
CACTVS 3.341	OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)c2nnnn12
ACDLabs 10.04	n1nnn2c1C(O)C(O)C(O)C2CO
OpenEye OEToolkits 1.5.0	C(C1C(C(C(c2n1nnn2)O)O)O)O
CACTVS 3.341	OC[CH]1[CH](O)[CH](O)[CH](O)c2nnnn12

Formula

C6 H10 N4 O4

Name

NOJIRIMYCINE TETRAZOLE

PDB chain

1v08 Chain A Residue 1502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	1v08 Structural Determinants of Substrate Specificity in Family 1 Beta-Glucosidases: Novel Insights from the Crystal Structure of Sorghum Dhurrinase-1, a Plant Beta-Glucosidase with Strict Specificity, in Complex with its Natural Substrate
Resolution	1.9 Å
Binding residue (original residue number in PDB)	Q38 H142 N190 D191 Y333 E406 W457 E464 W465
Binding residue (residue number reindexed from 1)	Q27 H131 N179 D180 Y322 E395 W446 E453 W454
Annotation score	1
Binding affinity	MOAD: Ki~1uM

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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Cellular Component

External links

PDB	RCSB:1v08, PDBe:1v08, PDBj:1v08
PDBsum	1v08
PubMed	15148317
UniProt	P49235\|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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