Structure of PDB 4d47 Chain A Binding Site BS01

Receptor Information
>4d47 Chain A (length=411) Species: 716540 (Erwinia amylovora ATCC 49946) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YNYKPTLWTRADALKVHEDDPTTTQPVIDIAFPVMSEEVFIWDTMPLRDF
DGEIISVNGWCIIFTLTADRNTDNPQFQDENGNYDITRDWEDRHGRARIC
YWYSRTGKDWIFGGRVMAEGVSPTTREWAGTPILLNDRGDIDLYYTCVTP
GATIAKVRGKIVTSDQSVSLEGFQQVTSLFSADGTIYQTEEQNAFWNFRD
PSPFIDRNDGKLYMLFEGNVAGPRGSHEITQAEMGNVPPGYEDVGGAKYQ
AGCVGLAVAKDLSGSEWQILPPLITAVGVNDQTERPHFVFQDGKYYLFTI
SHKYTFADNLTGPDGVYGFVSDKLTGPYTPMNSSGLVLGNPSSQPFQTYS
HYVMPNGLVTSFIDSVPWKGKDYRIGGTEAPTVKILLKGDRSFIVDSFDY
GYIPAMKDITL
Ligand information
Ligand IDFRU
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-/m1/s1
InChIKeyRFSUNEUAIZKAJO-ARQDHWQXSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04OC1C(O)C(OC1(O)CO)CO
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O
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
FormulaC6 H12 O6
Namebeta-D-fructofuranose;
beta-D-fructose;
D-fructose;
fructose
ChEMBLCHEMBL604608
DrugBank
ZINCZINC000001529270
PDB chain4d47 Chain A Residue 1415 [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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PDB4d47 The Crystal Structure of Erwinia Amylovora Levansucrase Provides a Snapshot of the Products of Sucrose Hydrolysis Trapped Into the Active Site.
Resolution2.77 Å
Binding residue
(original residue number in PDB)		W45 D46 H97 W131 R202 D203 E287
Binding residue
(residue number reindexed from 1)		W42 D43 H94 W128 R199 D200 E284
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) D46 A132 D203 E287
Catalytic site (residue number reindexed from 1) D43 A129 D200 E284
Enzyme Commision number 2.4.1.10: levansucrase.
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
GO:0050053 levansucrase activity
Biological Process
GO:0009758 carbohydrate utilization

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4d47, PDBe:4d47, PDBj:4d47
PDBsum4d47
PubMed26208466
UniProtA0A0M3KKU6

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