Structure of PDB 4amc Chain A Binding Site BS01

Receptor Information
>4amc Chain A (length=1019) Species: 1598 (Limosilactobacillus reuteri) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QYYIDPTTGQPRKNFLLQSGNNWIYFDSDTGVGTNALELQFAKGTVSSNE
QYRNGNAAYSYDDKSIENVNGYLTADTWYRPKQILKDGTTWTDSKETDMR
PILMVWWPNTLTQAYYLNYMKQHGNLLPSALPFFNADADPAELNHYSEIV
QQNIEKRISETGNTDWLRTLMHDFVTNNPMWNKDSENVNFSGIQFQGGFL
KYENSDLTPYANSDYRLLGRMPINIKDQTYRGQEFLLANDIDNSNPVVQA
EQLNWLYYLLNFGTITANNDQANFDSVRVDAPDNIDADLMNIAQDYFNAA
YGMDSDAVSNKHINILEDWNHADPEYFNKIGNPQLTMDDTIKNSLNHGLS
DATNRWGLDAIVHQSLADRENNSTENVVIPNYSFVRAHDNNSQDQIQNAI
RDVTGKDYHTFTFEDEQKGIDAYIQDQNSTVKKYNLYNIPASYAILLTNK
DTIPRVYYGDLYTDGGQYMEHQTRYYDTLTNLLKSRVKYVAGGQSMQTMS
VGGNNNILTSVRYGKGAMTATDTGTDETRTQGIGVVVSNTPNLKLGANDK
VVLHMGAAHKNQQYRAAVLTTTDGVINYTSDQGAPVAMTDENGDLYLSSH
NLVVNGKEEADTAVQGYANPDVSGYLAVWVPVGASDNQDARTAPSTEKNS
GNSAYRTNAAFDSNVIFEAFSNFVYTPTKESERANVRIAQNADFFASLGF
TSFEMAPQYNSSKDRTFLDSTIDNGYAFTDRYDLGMSEPNKYGTDEDLRN
AIQALHKAGLQVMADWVPDQIYNLPGKEVATVTRVDDRGNVWKDAIINNN
LYVVNTIGGGEYQKKYGGAFLDKLQKLYPEIFTKKQVSTGVAIDPSQKIT
EWSAKYFNGTNILHRGSGYVLKADGGQYYNLGTTTKQFLPIQLTGEKKQG
NEGFVKGNDGNYYFYDLAGNMVKNTFIEDSVGNWYFFDQDGKMVENKHFV
DVDSYGEKGTYFFLKNGVSFRGGLVQTDNGTYYFDNYGKMVRNQTINAGA
MIYTLDENGKLIKASYNSD
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 chain4amc Chain A Residue 2764 [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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PDB4amc Structure of the Alpha-1,6/Alpha-1,4-Specific Glucansucrase Gtfa from Lactobacillus Reuteri 121
Resolution3.6 Å
Binding residue
(original residue number in PDB)		E978 D984 N1028 I1029 D1513
Binding residue
(residue number reindexed from 1)		E234 D240 N284 I285 D769
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:4amc, PDBe:4amc, PDBj:4amc
PDBsum4amc
PubMed23192022
UniProtQ5SBL9

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