Structure of PDB 5gqx Chain A Binding Site BS01

Receptor Information
>5gqx 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
GFNLKWDMGWMHDMLDYFNIDPYFRQYHQNNVTFSMLYYYNENFMLALSH
DEIVHGKSNMLGKMPGDEWQKYANVRALFTYMYTHPGKKTMFMSMEFGQW
SEWNVNGDLEWHLLQYEPHQQLKQFFTDLNALYQQEPALYTHDFEYHGFE
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 chain5gqx Chain B Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5gqx Bound Substrate in the Structure of Cyanobacterial Branching Enzyme Supports a New Mechanistic Model
Resolution2.3 Å
Binding residue
(original residue number in PDB)		W327 Y329 D434 H554 D555
Binding residue
(residue number reindexed from 1)		W323 Y325 D430 H550 D551
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:5gqx, PDBe:5gqx, PDBj:5gqx
PDBsum5gqx
PubMed28193843
UniProtB1WPM8

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