Structure of PDB 4lq1 Chain D Binding Site BS04

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 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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PDB4lq1 Crystal Structures of Escherichia coli Branching Enzyme in Complex with Linear Oligosaccharides.
Resolution2.55 Å
Binding residue
(original residue number in PDB)		R254 R255 S583 W586 E590
Binding residue
(residue number reindexed from 1)		R138 R139 S448 W451 E455
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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