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Receptor Information

>5clt Chain C (length=637) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

FQRRYKQFSQILKNIGENEGGIDKFSRGYESFGVHRCADGGLYCKEWAPG
AEGVFLTGDFNGWNPFSYPYKKLDYGKWELYIPPKQNKSVLVPHGSKLKV
VITSKSGEILYRISPWAKYVVREGDNVNYDWIHWDPEHSYEFKHSRPKKP
RSLRIYESHVGISSHEGKVASYKHFTCNVLPRIKGLGYNCIQLMAIMEHA
YYASFGYQITSFFAASSRYGSPEELQELVDTAHSMGIIVLLDVVHSHASK
NSADGLNMFDGTDSCYFHSGPRGTHDLWDSRLFAYSSWEVLRFLLSNIRW
WLEEYRFDGFRFDGVTSMLYHQVDEDALTYLMLANHLVHTLCPDSITIAE
DVSGMPALCSPISQGGGGFDYRLAMAIPDKWIQLLKEFKDEDWNMGDIVY
TLTNRRYLEKCIAYAESHDQALVGDKSLAFWLMDAEMYTNMSVLTPFTPV
IDRGIQLHKMIRLITHGLGGEGYLNFMGNEFGHPEWLDFPRKGNNESYHY
ARRQFHLTDDDLLRYKFLNNFDRDMNRLEERYGWLAAPQAYVSEKHEGNK
IIAFERAGLLFIFNFHPSKSYTDYRVGTALPGKFKIVLDSDAAEYGGHQR
LDHSTDFFSEAFEHNGRPYSLLVYIPSRVALILQNVD

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

5clt Chain F 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	5clt Crystal structure of human glycogen branching enzyme (GBE1) in complex with acarbose
Resolution	2.79 Å
Binding residue (original residue number in PDB)	N62 E63 Y119 E333
Binding residue (residue number reindexed from 1)	N18 E19 Y75 E289
Annotation score	1

Enzyme Commision number

2.4.1.18: 1,4-alpha-glucan branching enzyme.

	Molecular Function
GO:0003824	catalytic activity
GO:0003844	1,4-alpha-glucan branching enzyme activity
GO:0004553	hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0005515	protein binding
GO:0016757	glycosyltransferase activity
GO:0030246	carbohydrate binding
GO:0043169	cation binding

	Biological Process
GO:0005975	carbohydrate metabolic process
GO:0005977	glycogen metabolic process
GO:0005978	glycogen biosynthetic process
GO:0006091	generation of precursor metabolites and energy
GO:0043524	negative regulation of neuron apoptotic process

	Cellular Component
GO:0005737	cytoplasm
GO:0005829	cytosol
GO:0070062	extracellular exosome

PDB	RCSB:5clt, PDBe:5clt, PDBj:5clt
PDBsum	5clt
PubMed
UniProt	Q04446\|GLGB_HUMAN 1,4-alpha-glucan-branching enzyme (Gene Name=GBE1)

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Structure of PDB 5clt Chain C Binding Site BS02