Structure of PDB 4ayg Chain A Binding Site BS01

Receptor Information
>4ayg Chain A (length=1028) Species: 1598 (Limosilactobacillus reuteri) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
INGQQYYIDPTTGQPRKNFLLQNGNDWIYFDKDTGAGTNALKLQFDKGTI
SADEQYRRGNEAYSYDDKSIENVNGYLTADTWYRPKQILKDGTTWTDSKE
TDMRPILMVWWPNTVTQAYYLNYMKQYGNLLPASLPSFSTDADSAELNHY
SELVQQNIEKRISETGSTDWLRTLMHEFVTKNSMWNKDSENVDYGGLQLQ
GGFLKYVNSDLTKYANSDWRLMNRTATNIDGKNYGGAEFLLANDIDNSNP
VVQAEELNWLYYLMNFGTITGNNPEANFDGIRVDAVDNVDVDLLSIARDY
FNAAYNMEQSDASANKHINILEDWGWDDPAYVNKIGNPQLTMDDRLRNAI
MDTLSGAPDKNQALNKLITQSLVNRANDNTENAVIPSYNFVRAHDSNAQD
QIRQAIQAATGKPYGEFNLDDEKKGMEAYINDQNSTNKKWNLYNMPSAYT
ILLTNKDSVPRVYYGDLYQDGGQYMEHKTRYFDTITNLLKTRVKYVAGGQ
TMSVDKNGILTNVRFGKGAMNATDTGTDETRTEGIGVVISNNTNLKLNDG
ESVVLHMGAAHKNQKYRAVILTTEDGVKNYTNDTDAPVAYTDANGDLHFT
NTNLDGQQYTAVRGYANPDVTGYLAVWVPAGAADDQDARTAPSDEAHTTK
TAYRSNAALDSNVIYEGFSNFIYWPTTESERTNVRIAQNADLFKSWGITT
FELAPQYNSSKDGTFLDSIIDNGYAFTDRYDLGMSTPNKYGSDEDLRNAL
QALHKAGLQAIADWVPDQIYNLPGKEAVTVTRSDDHGTTWEVSPIKNVVY
ITNTIGGGEYQKKYGGEFLDTLQKEYPQLFSQVYPVTQTTIDPSVKIKEW
SAKYFNGTNILHRGAGYVLRSNDGKYYNLGTSTQQFLPSQLSVQDNEGYG
FVKEGNNYHYYDENKQMVKDAFIQDSVGNWYYLDKNGNMVANQSPVEISS
NGASGTYLFLNNGTSFRSGLVKTDAGTYYYDGDGRMVRNQTVSDGAMTYV
LDENGKLVSESFDSSATEAHPLKPGDLN
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 chain4ayg Chain A Residue 2770 [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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PDB4ayg Flexibility of Truncated and Full-Length Glucansucrase Gtf180 Enzymes from Lactobacillus Reuteri 180.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		E979 D985 N1029 D1508
Binding residue
(residue number reindexed from 1)		E238 D244 N288 D767
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:4ayg, PDBe:4ayg, PDBj:4ayg
PDBsum4ayg
PubMed24597929
UniProtQ5SBN3

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