Structure of PDB 3klk Chain A Binding Site BS01

Receptor Information
>3klk Chain A (length=1006) 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
EELNWLYYLMNFGTITGNNPEANFDGIRVDAVDNVDVDLLSIARDYFNAA
YNMEQSDASANKHINILEDWGWDDPAYVNKIGNPQLTMDDRLRNAIMDTL
SGAPDKNQALNKLITQSLVNRANDNTENAVIPSYNFVRAHDSNAQDQIRQ
AIQAATGKPYGEFNLDDEKKGMEAYINDQNSTNKKWNLYNMPSAYTILLT
NKDSVPRVYYGDLYQDGGQYMEHKTRYFDTITNLLKTRVKYVAGGQTMSV
DKNGILTNVRFGKGAMNATDTGTDETRTEGIGVVISNNTNLKLNDGESVV
LHMGAAHKNQKYRAVILTTEDGVKNYTNDTDAPVAYTDANGDLHFTNTNL
DGQQYTAVRGYANPDVTGYLAVWVPAGAADDQDARTAPSDEAHTTKTAYR
SNAALDSNVIYEGFSNFIYWPTTESERTNVRIAQNADLFKSWGITTFELA
PQYNSSKDGTFLDSIIDNGYAFTDRYDLGMSTPNKYGSDEDLRNALQALH
KAGLQAIADWVPDQIYNLPGKEAVTVTRSDDHGTTWEVSPIKNVVYITNT
IGGGEYQKKYGGEFLDTLQKEYPQLFSQVYPVTQTTIDPSVKIKEWSAKY
FNGTNILHRGAGYVLRSNDGKYYNLGTSTQQFLPSQLSVQDNEGYGFVKE
GNNYHYYDENKQMVKDAFIQDSVGNWYYLDKNGNMVANQSPVEISSNGAS
GTYLFLNNGTSFRSGLVKTDAGTYYYDGDGRMVRNQTVSDGAMTYVLDEN
GKLVSE
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain3klk Chain A 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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PDB3klk Crystal structure of a 117 kDa glucansucrase fragment provides insight into evolution and product specificity of GH70 enzymes
Resolution1.65 Å
Binding residue
(original residue number in PDB)		E979 D985 N1029 D1508
Binding residue
(residue number reindexed from 1)		E234 D240 N284 D763
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:3klk, PDBe:3klk, PDBj:3klk
PDBsum3klk
PubMed21118988
UniProtQ5SBN3

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