Structure of PDB 4lpc Chain A Binding Site BS03

Receptor Information
>4lpc Chain A (length=587) 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
DFRYFIDAAHAAGLNVILDWVPGHFPTDDFALAEFDGTNLYEHSTLIYNY
GRREVSNFLVGNALYWIERFGIDALRVDAVASMIYRGGRENLEAIEFLRN
TNRILGEQVSGAVTMAEESTDFPGVSRPQDMGGLGFWYKWNLGWMHDTLD
YMKLDPVYRQYHHDKLTFGILYNYTENFVLPLSHDEVVHGKKSILDRMPG
DAWQKFANLRAYYGWMWAFPGKKLLFMGNEFAQGREWNHDASLDWHLLEG
GDNWHHGVQRLVRDLNLTYRHHKAMHELDFDPYGFEWLVVDDKERSVLIF
VRRDKEGNEIIVASNFTPVPRHDYRFGINQPGKWREILNTDSMHYHGSNA
GNGGTVHSDEIASHGRQHSLSLTLPPLATIWLVREAE
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 chain4lpc Chain F 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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PDB4lpc Crystal Structures of Escherichia coli Branching Enzyme in Complex with Linear Oligosaccharides.
Resolution2.39 Å
Binding residue
(original residue number in PDB)		S467 R468 P469 Q470 G476 F477 W478
Binding residue
(residue number reindexed from 1)		S326 R327 P328 Q329 G335 F336 W337
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

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4lpc, PDBe:4lpc, PDBj:4lpc
PDBsum4lpc
PubMed26280198
UniProtP07762|GLGB_ECOLI 1,4-alpha-glucan branching enzyme GlgB (Gene Name=glgB)

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