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Receptor Information

>2f6d Chain A (length=492) Species: 4944 (Saccharomycopsis fibuligera) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

AYPSFEAYSNYKVDRTDLETFLDKQKEVSLYYLLQNIAYPEGQFNNGVPG
TVIASPSTSNPDYYYQWTRDSAITFLTVLSELEDNNFNTTLAKAVEYYIN
TSYNLQRTSNPSGSFDDENHKGLGEPKFNTDGSAYTGAWGRPQNDGPALR
AYAISRYLNDVNSLNEGKLVLTDSGDINFSSTEDIYKNIIKPDLEYVIGY
WDSTGFDLWEENQGRHFFTSLVQQKALAYAVDIAKSFDDGDFANTLSSTA
STLESYLSGSDGGFVNTDVNHIVENPDLLQQNSRQGLDSATYIGPLLTHD
IGESSSTPFDVDNEYVLQSYYLLLEDNKDRYSVNSAYSAGAAIGRYPEDV
YNGDGSSEGNPWFLATAYAAQVPYKLAYDAKSASNDITINKINYDFFNKY
IVDLSTINSAYQSSDSVTIKSGSDEFNTVADNLVTFGDSFLQVILDHIND
DGSLNEQLNRYTGYSTGAYSLTWSSGALLEAIRLRNKVKALA

Ligand ID

AC1

InChI

InChI=1S/C13H23NO8/c1-4-7(10(18)12(20)13(21)22-4)14-6-2-5(3-15)8(16)11(19)9(6)17/h2,4,6-21H,3H2,1H3/t4-,6+,7-,8-,9+,10+,11+,12-,13+/m1/s1

InChIKey

RBZIIHWPZWOIDU-ZCGMLSCUSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	CC1C(C(C(C(O1)O)O)O)NC2C=C(C(C(C2O)O)O)CO
CACTVS 3.341	C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1N[CH]2C=C(CO)[CH](O)[CH](O)[CH]2O
OpenEye OEToolkits 1.5.0	C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)N[C@H]2C=C([C@H]([C@@H]([C@H]2O)O)O)CO
ACDLabs 10.04	OC2C(NC1C=C(CO)C(O)C(O)C1O)C(OC(O)C2O)C
CACTVS 3.341	C[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]2C=C(CO)[C@@H](O)[C@H](O)[C@H]2O

Formula

C13 H23 N O8

Name

4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose;
6-METHYL-5-(4,5,6-TRIHYDROXY-3-HYDROXYMETHYL-CYCLOHEX-2-ENYLAMINO)-TETRAHYDRO-PYRAN-2,3,4-TRIOL;
4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucose;
4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-D-glucose;
4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-glucose

PDB chain

2f6d Chain C Residue 3 [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	2f6d Structure of the complex of a yeast glucoamylase with acarbose reveals the presence of a raw starch binding site on the catalytic domain.
Resolution	1.6 Å
Binding residue (original residue number in PDB)	R15 D450
Binding residue (residue number reindexed from 1)	R15 D450
Annotation score	1

Catalytic site (original residue number in PDB)	W139 D207 E210 E211 E456
Catalytic site (residue number reindexed from 1)	W139 D207 E210 E211 E456
Enzyme Commision number	3.2.1.3: glucan 1,4-alpha-glucosidase.

	Molecular Function
GO:0004339	glucan 1,4-alpha-glucosidase activity
GO:0004553	hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016798	hydrolase activity, acting on glycosyl bonds

	Biological Process
GO:0000272	polysaccharide catabolic process
GO:0005975	carbohydrate metabolic process
GO:0005976	polysaccharide metabolic process

	Cellular Component
GO:0000324	fungal-type vacuole

PDB	RCSB:2f6d, PDBe:2f6d, PDBj:2f6d
PDBsum	2f6d
PubMed	16649993
UniProt	P08017\|AMYG_SACFI Glucoamylase GLU1 (Gene Name=GLU1)

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Structure of PDB 2f6d Chain A Binding Site BS05