Structure of PDB 5gr4 Chain A Binding Site BS12

Receptor Information
>5gr4 Chain A (length=755) Species: 43989 (Crocosphaera subtropica ATCC 51142) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ISADQVNQIIYNLHHDPFEILGCHLLEEGKNTKKWVVRAYLPKAEAAWVI
RPTERKEDPMNSVHHPNFFECIIETPELNHYQLKVKEGEHEKVIYDPYAF
SSPYLTDEDIYLFSEGNHHRIYEKLGAHVGEINGVKGVYFAVWAPNARNV
SVIGDFNNWDGREHQMRKRNYTIWELFVPEIGSGTVYKYEIKNSEGHIYE
KSDPYGFYREVRPNTASIVVDIDNIYQWHDEEWLEKRRNSDPLKQPVSVY
EVHLGSWLHGSSAEKMPLLNGEADPVIVSEWNPGARFLSYYELAEKLIPY
VKDMGYTHIELLPIAEHPFDGSWGYQVTGFYSPTSRFGRPEDFMYFVDKC
HENGIGVILDWVPGHFPKDSHGLAYFDGTHLYEHADPRIGEHKEWGTLVF
NYGRHEVRNFLVANVLFWFDKYHVDGIRVDAVASMLYRNYLRKEGEWIAN
EYGGDEHIEAVSFIREVNTLLFEYFPGILSIAEESTEWEKVSRPVYDGGL
GFNLKWDMGWMHDMLDYFNIDPYFRQYHQNNVTFSMAYYYNENFMLALSH
DEIVHGKSNMLGKMPGDEWQKYANVRALFTYMYTHPGKKTMFMSMEFGQW
SEWNVWGDLEWHLLQYEPHQQLKQFFTDLNALYQQEPALYTHDFEYHGFE
WIDCNDNTHSVVSFLRRSDDPNDSLVVVCNFTPQPHSHYRIGVPEAGYYV
ELFNSDAKQYGGSNMGNLGGKWADEWSFHNKPYSLDLCLPPLAVLILKLD
PTKVP
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 chain5gr4 Chain F Residue 7 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5gr4 Crystallization and crystallographic analysis of branching enzymes from Cyanothece sp. ATCC 51142
Resolution2.0 Å
Binding residue
(original residue number in PDB)		E705 F707 N708 Y714
Binding residue
(residue number reindexed from 1)		E701 F703 N704 Y710
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:0016757 glycosyltransferase activity
GO:0043169 cation binding
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0005978 glycogen biosynthetic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5gr4, PDBe:5gr4, PDBj:5gr4
PDBsum5gr4
PubMed
UniProtB1WPM8

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