Structure of PDB 6m6t Chain E Binding Site BS01

Receptor Information
>6m6t Chain E (length=497) Species: 1311 (Streptococcus agalactiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KRASGVLMHITSLPGDLGIGTFGREAYAFVDFLVETDQKFWQILPLTTTS
FGDSPYQSFSAVAGNTHLIDFDLLTLEGFISKDDYQNISFGQDPEVVDYA
GLFEKRRPVLEKAVKNFLKEERATRMLSDFLQEEKWVTDFAEFMAIKEHF
GNKALQEWDDKAIIRREEEALAGYRQKLSEVIKYHEVTQYFFYKQWFELK
EYANDKGIQIIGDMPIYVSADSVEVWTMPELFKLDRDKQPLAIAGVPADD
FSDDGQLWGNPIYNWDYHKESDFDWWIYRIQSGVKMYDYLRIDHFKGFSD
YWEIRGDYQTANDGSWQPAPGPELFATIKEKLGDLPIIAENLGYIDERAE
RLLAGTGFPGMKIMEFGFYDTTGNSIDIPHNYTENTIAYAGTHDNEVING
WFENLTVEQKAYAENYMRRLPNEPITETVLRTLYATVSQTTITCMQDLLD
KPADSRMNMPNTVGGNWQWRMRKEDLTENRKAFLKEITTIYNRGNKL
Ligand information
Ligand IDASO
InChIInChI=1S/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4+,5+,6+/m0/s1
InChIKeyMPCAJMNYNOGXPB-SLPGGIOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
CACTVS 3.341OC[CH]1OC[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C1C(C(C(C(O1)CO)O)O)O
ACDLabs 10.04OC1C(OCC(O)C1O)CO
FormulaC6 H12 O5
Name1,5-anhydro-D-glucitol;
1,5-ANHYDROSORBITOL
ChEMBLCHEMBL344637
DrugBank
ZINCZINC000004097377
PDB chain6m6t Chain Q 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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PDB6m6t Streptococcus agalactiae amylomaltase offers insight into the transglycosylation mechanism and the molecular basis of thermostability among amylomaltases.
Resolution2.75 Å
Binding residue
(original residue number in PDB)		Y58 W260 D295 D396
Binding residue
(residue number reindexed from 1)		Y56 W258 D293 D394
Annotation score1
Enzymatic activity
Enzyme Commision number 2.4.1.25: 4-alpha-glucanotransferase.
Gene Ontology
Molecular Function
GO:0004134 4-alpha-glucanotransferase activity
GO:0016757 glycosyltransferase activity
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6m6t, PDBe:6m6t, PDBj:6m6t
PDBsum6m6t
PubMed33762620
UniProtA0A0E1EIJ0

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