Structure of PDB 4lq1 Chain D Binding Site BS03

Receptor Information
>4lq1 Chain D (length=593) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
THLRPYETLGAHADTMDGVTGTRFSVWAPNARRVSVVGQFNYWDGRRHPM
RLRKESGIWELFIPGAHNGQLYKYEMIDANGNLRLKSDPYAFEAQMRPET
ASLICGLPEKVVQTEERKKANQFDAPISIYEVHLGSWRRHTDNNFWLSYR
ELADQLVPYAKWMGFTHLELLPINEHPFDGSWGYQPTGLYAPTRRFGTRD
DFRYFIDAAHAAGLNVILDWVPGHFPTDDFALAEFDGTNLYEHSNTLIYN
YGRREVSNFLVGNALYWIERFGIDALRVDAVASMIYRDYNEFGGRENLEA
IEFLRNTNRILGEQVSGAVTMAEESTDFPGVSRPQDMGGLGFWYKWNLGW
MHDTLDYMKLDPVYRQYHHDKLTFGILYNYTENFVLPLSHDEVVHGKKSI
LDRMPGDAWQKFANLRAYYGWMWAFPGKKLLFMGNEFAQGREWNHDASLD
WHLLEGGDNWHHGVQRLVRDLNLTYRHHKAMHELDFDPYGFEWLVVDDKE
RSVLIFVRRDKEGNEIIVASNFTPVPRHDYRFGINQPGKWREILNTDSMH
YHGSNAGNGGTVHSDEIASHGRQHSLSLTLPPLATIWLVREAE
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 chain4lq1 Chain I Residue 1 [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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PDB4lq1 Crystal Structures of Escherichia coli Branching Enzyme in Complex with Linear Oligosaccharides.
Resolution2.55 Å
Binding residue
(original residue number in PDB)		L584 D585 H587
Binding residue
(residue number reindexed from 1)		L449 D450 H452
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:4lq1, PDBe:4lq1, PDBj:4lq1
PDBsum4lq1
PubMed26280198
UniProtP07762|GLGB_ECOLI 1,4-alpha-glucan branching enzyme GlgB (Gene Name=glgB)

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