Structure of PDB 7lst Chain A Binding Site BS03

Receptor Information
>7lst Chain A (length=763) Species: 40518 (Ruminococcus bromii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SSDYARDNSYTKAAEDIDAQYAYSGNDLGVTYTKDATTFKVWSPTATGVK
LNIFTKGSDDEQGASKVASYTLEKMLVDGEWNGVWTITLVGEWKDYYYTY
SVTTTDTTHIGSDATKTYETQDVYSTATGVNGKRSMIVDLDETDPEGWSN
DSHVLLDKSTKSSVWELHIKDFSYDKASGVSDANRGKYLAFTENGTTLNG
EGKVSTCIDYLKELGVTTVQLNPFYDFQSVNEAGDDSQFNWGYDPVNYNV
PEGSYSSNPYDGKVRIKECKEMIKALHDAGISVVMDVVYNHTYSTDSCFQ
YTVPNYYYRMKTTGAFSDGSGCGNEGATERAMYRQYVIDSLKYWVNEYHV
DGFRFALMGLMDVETMNMAREALDQIDPRITMWGEGWAGGDSYHPTNTCS
GTKFYPATQANASRLSDRIAIFNDGIRDGIKGSAMDISDVGFIQGSKSSA
KGVSYGVRANSSGTYKWKAQAPSQCVTYDACHDNATLYDQIIASTGLADY
GERNSEAVKMNRLASAIIYTSQGISFTLAGEEMARSKDGDTNSYKSAANL
NMIKWQNVVDYADVVSYYKGMMQIKSAFSPLTAMDNSYADKYTFTKKVSA
STNQISFTIQNDVEGEWNKMAVIYNNATTAADVTLSDTSVTDWVVIANGE
TAGLDSLGEVTGSTFTVPARSAIVAVDKAGYESAGIHSSKGKVKVNYVYE
ATGEKLEDSVILQGSVGSGYVTVPSAVIPDTYIVSRIGGNAEGKYTSDMQ
EVTYYYTDYIPES
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 chain7lst Chain A Residue 920 [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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PDB7lst Structure and substrate recognition by the Ruminococcus bromii amylosome pullulanases.
Resolution2.05 Å
Binding residue
(original residue number in PDB)		D262 F263 E268 E288
Binding residue
(residue number reindexed from 1)		D226 F227 E232 E252
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.41: pullulanase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7lst, PDBe:7lst, PDBj:7lst
PDBsum7lst
PubMed34186214
UniProtA0A2N0UU23

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