Structure of PDB 3hz3 Chain A Binding Site BS01

Receptor Information
>3hz3 Chain A (length=1003) Species: 1598 (Limosilactobacillus reuteri) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QYYIDPTTGQPRKNFLLQNGNDWIYFDKDTGAGTNALKLQFDKGTISADE
QYRRGNEAYSYDDKSIENVNGYLTADTWYRPKQILKDGTTWTDSKETDMR
PILMVWWPNTVTQAYYLNYMKQYGNLLPASLPSFSTDADSAELNHYSELV
QQNIEKRISETGSTDWLRTLMHEFVTKNSMWNKDSENVDYGGLQLQGGFL
KYVNSDLTKYANSDWRLMNRTATNIDGKNYGGAEFLLANDIDNSNPVVQA
EELNWLYYLMNFGTITGNNPEANFDGIRVNAVDNVDVDLLSIARDYFNAA
YNMEQSDASANKHINILEDWGWDDPAYVNKIGNPQLTMDDRLRNAIMDTL
SGAPDKNQALNKLITQSLVNRANDNTENAVIPSYNFVRAHDSNAQDQIRQ
AIQAATGKPYGEFNLDDEKKGMEAYINDQNSTNKKWNLYNMPSAYTILLT
NKDSVPRVYYGDLYQDGGQYMEHKTRYFDTITNLLKTRVKYVAGGQTMSV
DKNGILTNVRFGKGAMNATDTGTDETRTEGIGVVISNNTNLKLNDGESVV
LHMGAAHKNQKYRAVILTTEDGVKNYTNDTDAPVAYTDANGDLHFTNTNL
DGQQYTAVRGYANPDVTGYLAVWVPAGAADDQDARTAPSDEAHTTKTAYR
SNAALDSNVIYEGFSNFIYWPTTESERTNVRIAQNADLFKSWGITTFELA
PQYNSSKDGTFLDSIIDNGYAFTDRYDLGMSTPNKYGSDEDLRNALQALH
KAGLQAIADWVPDQIYNLPGKEAVTVTRSDDHGTTWEVSPIKNVVYITNT
IGGGEYQKKYGGEFLDTLQKEYPQLFSQVYPVTQTTIDPSVKIKEWSAKY
FNGTNILHRGAGYVLRSNDGKYYNLGTSTQQFLPSQLSVQDNEGYGFVKE
GNNYHYYDENKQMVKDAFIQDSVGNWYYLDKNGNMVANQSPVEISSSGTY
LFLNNGTSFRSGLVKTDAGTYYYDGDGRMVRNQTVSDGAMTYVLDENGKL
VSE
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 chain3hz3 Chain B 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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PDB3hz3 Crystal structure of a 117 kDa glucansucrase fragment provides insight into evolution and product specificity of GH70 enzymes
Resolution2.22 Å
Binding residue
(original residue number in PDB)		N1025 E1063 H1135 D1136 D1458 Y1465
Binding residue
(residue number reindexed from 1)		N280 E318 H390 D391 D713 Y720
Annotation score1
Enzymatic activity
Enzyme Commision number 2.4.1.5: dextransucrase.
Gene Ontology
Molecular Function
GO:0046527 glucosyltransferase activity
Biological Process
GO:0009250 glucan biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3hz3, PDBe:3hz3, PDBj:3hz3
PDBsum3hz3
PubMed21118988
UniProtQ5SBN3

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