Structure of PDB 7lst Chain A Binding Site BS01

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 IDBGC
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-VFUOTHLCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-glucopyranose;
beta-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL1614854
DrugBankDB02379
ZINCZINC000003833800
PDB chain7lst Chain C 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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PDB7lst Structure and substrate recognition by the Ruminococcus bromii amylosome pullulanases.
Resolution2.05 Å
Binding residue
(original residue number in PDB)		W277 Y279 C358 R390 A392 E421 H518 D519
Binding residue
(residue number reindexed from 1)		W241 Y243 C322 R354 A356 E385 H482 D483
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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