Structure of PDB 2cgl Chain A Binding Site BS01

Receptor Information
>2cgl Chain A (length=479) Species: 469008 (Escherichia coli BL21(DE3)) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TFRNCVAVDLGASSGRVMLARYERECRSLTLREIHRFNNGLHSQNGYVTW
DVDSLESAIRLGLNKVCAAGIAIDSIGIDTWGVDFVLLDQQGQRVGLPVA
YRDSRTNGLMAQAQQQLGKRDIYQRSGIQFLPFNTLYQLRALTEQQPELI
PHIAHALLMPDYFSYRLTGKMNWEYTNATTTQLVNINSDDWDESLLAWSG
ANKAWFGRPTHPGNVIGHWICPQGNEIPVVAVASHDTASAVIASPLNGSR
AAYLSSGTWSLMGFESQTPFTNDTALAANITNEGGAEGRYRVLKNIMGLW
LLQRVLQERQINDLPALIAATQALPACRFIINPNDDRFINPDEMCSEIQA
ACREMAQPIPESDAELARCIFDSLALLYADVLHELAQLRGEDFSQLHIVG
GGCQNTLLNQLCADACGIRVIAGPVEASTLGNIGIQLMTLDELNNVDDFR
QVVSTTANLTTFTPNPDSEIAHYVALIHS
Ligand information
Ligand IDLFR
InChIInChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m0/s1
InChIKeyRFSUNEUAIZKAJO-AZGQCCRYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04OC1C(O)C(OC1(O)CO)CO
CACTVS 3.341OC[CH]1O[C](O)(CO)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(O1)(CO)O)O)O)O
CACTVS 3.341OC[C@@H]1O[C@@](O)(CO)[C@H](O)[C@H]1O
OpenEye OEToolkits 1.5.0C([C@H]1[C@@H]([C@H]([C@@](O1)(CO)O)O)O)O
FormulaC6 H12 O6
Namebeta-L-fructofuranose;
beta-L-fructose;
L-fructose;
fructose;
BETA-L-FRUCTO-FURANOSE
ChEMBL
DrugBankDB04173
ZINC
PDB chain2cgl Chain A Residue 1481 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2cgl Structure and Reaction Mechanism of L-Rhamnulose Kinase from Escherichia Coli.
Resolution1.88 Å
Binding residue
(original residue number in PDB)		W82 G83 H236 D237 W260 N296
Binding residue
(residue number reindexed from 1)		W81 G82 H235 D236 W259 N295
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.1.5: rhamnulokinase.
Gene Ontology
Molecular Function
GO:0004370 glycerol kinase activity
GO:0005524 ATP binding
GO:0008993 rhamnulokinase activity
GO:0016301 kinase activity
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0006071 glycerol metabolic process
GO:0016310 phosphorylation
GO:0019299 rhamnose metabolic process
GO:0019301 rhamnose catabolic process
GO:0046835 carbohydrate phosphorylation
Cellular Component
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:2cgl, PDBe:2cgl, PDBj:2cgl
PDBsum2cgl
PubMed16674975
UniProtP32171|RHAB_ECOLI L-Rhamnulokinase (Gene Name=rhaB)

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