Structure of PDB 3vu2 Chain B Binding Site BS01

Receptor Information
>3vu2 Chain B (length=691) Species: 39947 (Oryza sativa Japonica Group) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DHLPIYDLDPKLEEFKDHFNYRIKRYLDQKCLIEKHEGGLEEFSKGYLKF
GINTVDGATIYREWAPAAQEAQLIGEFNNWNGAKHKMEKDKFGIWSIKIS
HVNGKPAIPHNSKVKFRFRHGGGAWVDRIPAWIRYATFDASKFGAPYDGV
HWDPPACERYVFKHPRPPKPDAPRIYEAHVGMSGEEPEVSTYREFADNVL
PRIRANNYNTVQLMAIMEHSYYASFGYHVTNFFAVSSRSGTPEDLKYLVD
KAHSLGLRVLMDVVHSHASNNVTDGLNGYDVGQNTHESYFHTGDRGYHKL
WDSRLFNYANWEVLRFLLSNLRYWMDEFMFDGFRFDGVTSMLYHHHGINK
GFTGNYKEYFSLDTDVDAIVYMMLANHLMHKLLPEATIVAQDVSGMPVLC
RPVDEGGVGFDFRLAMAIPDRWIDYLKNKEDRKWSMSEIVQTLTNRRYTE
KCIAYAESHDQSIVGDKTIAFLLMDKEMYTGMSDLQPASPTINRGIALQK
MIHFITMALGGDGYLNFMGNEFGHPEWIDFPREGNNWSYDKCRRQWSLVD
TDHLRYKYMNAFDQAMNALEEEFSFLSSSKQIVSDMNEKDKVIVFERGDL
VFVFNFHPNKTYKGYKVGCDLPGKYRVALDSDALVFGGHGRVGHDVDHFT
SPEGMPGVPETNFNNRPNSFKVLSPPRTCVAYYRVDEDREE
Ligand information
Ligand IDGLC
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1
InChIKeyWQZGKKKJIJFFOK-DVKNGEFBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-glucopyranose;
alpha-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL423707
DrugBank
ZINCZINC000003861213
PDB chain3vu2 Chain D Residue 2 [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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PDB3vu2 Crystal structure of the rice branching enzyme I (BEI) in complex with maltopentaose.
Resolution2.23 Å
Binding residue
(original residue number in PDB)		W72 P74 F100 H294 E295
Binding residue
(residue number reindexed from 1)		W64 P66 F92 H286 E287
Annotation score4
Enzymatic activity
Enzyme Commision number 2.4.1.18: 1,4-alpha-glucan branching enzyme.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0003844 1,4-alpha-glucan branching enzyme activity
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0043169 cation binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0005978 glycogen biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3vu2, PDBe:3vu2, PDBj:3vu2
PDBsum3vu2
PubMed22771800
UniProtQ01401|GLGB_ORYSJ 1,4-alpha-glucan-branching enzyme, chloroplastic/amyloplastic (Gene Name=SBE1)

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