Structure of PDB 7lsa Chain A Binding Site BS03

Receptor Information
>7lsa Chain A (length=760) Species: 40518 (Ruminococcus bromii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SDYARDNSYTKAAEDIDAQYAYSGNDLGVTYTKDATTFKVWSPTATGVKL
NIFTKGSDDEQGASKVASYTLEKMLVDGEWNGVWTITLVGEWKDYYYTYS
VTTTDTTHIGSDATKTYETQDVYSTATGVNGKRSMIVDLDETDPEGWSND
SHVLLDKSTKSSVWELHIKDFSYDKASGVSDANRGKYLAFTENGTTLNGE
GKVSTCIDYLKELGVTTVQLNPFYDFQSVNEAGDDSQFNWGYDPVNYNVP
EGSYSSNPYDGKVRIKECKEMIKALHDAGISVVMDVVYNHTYSTDSCFQY
TVPNYYYRMKTTGAFSDGSGCGNEGATERAMYRQYVIDSLKYWVNEYHVD
GFRFDLMGLMDVETMNMAREALDQIDPRITMWGEGWAGGDSYHPTNTCSG
TKFYPATQANASRLSDRIAIFNDGIRDGIKGSAMDISDVGFIQGSKSSAK
GVSYGVRANSSGTYKWKAQAPSQCVTYDACHDNATLYDQIIASTGLADYG
ERNSEAVKMNRLASAIIYTSQGISFTLAGEEMARSKDGDTNSYKSAANLN
MIKWQNVVDYADVVSYYKGMMQIKSAFSPLTAMDNSYADKYTFTKKVSAS
TNQISFTIQNDVEGEWNKMAVIYNNATTAADVTLSDTSVTDWVVIANGET
AGLDSLGEVTGSTFTVPARSAIVAVDKAGYESAGIHSSKGKVKVNYVYEA
TGEKLEDSVILQGSVGSGYVTVPSAVIPDTYIVSRIGGNAEGKYTSDMQE
VTYYYTDYIP
Ligand information
Ligand IDGLC
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-DVKNGEFBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-glucopyranose;
alpha-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL423707
DrugBank
ZINCZINC000003861213
PDB chain7lsa Chain D 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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PDB7lsa Structure and substrate recognition by the Ruminococcus bromii amylosome pullulanases.
Resolution1.76 Å
Binding residue
(original residue number in PDB)		W277 Y279 D392 E421 H518 D519
Binding residue
(residue number reindexed from 1)		W240 Y242 D355 E384 H481 D482
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:7lsa, PDBe:7lsa, PDBj:7lsa
PDBsum7lsa
PubMed34186214
UniProtA0A2N0UU23

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