Structure of PDB 7p4d Chain AAA Binding Site BS02

Receptor Information
>7p4d Chain AAA (length=780) Species: 498211 (Cellvibrio japonicus Ueda107) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AVFYKEHKLRNDGLVITTNQGNIRLQFKSEAAIEVLYRADSKQLPSFALA
QPESAIKAQLTETENHLQFSGGTLTARIQKRPFAISYYRDSELLLAEESG
FQVKINFRFYLSPGEKILGGGQRILGMDRRGQRFPLYNRAHYGYSDHSGQ
MYFGLPAIMSSKQYILVFDNSASGAMDIGKTESDILQLEAKSGRSAYILV
AGNSYPSLIENFTQVTGRQPLPPRWALGSFASRFGYRSEAETRATVQKYK
TEDFPLDTIVLDLYWFGKDIKGHMGNLDWDKENFPTPLDMMADFKQQGVK
TVLITEPFVLTSSKRWDDAVKAKALAKDPQGQPKAFELYFGNGGIIDVFS
KEGSRWFSSIYKDLSKQGVAGWWGDLGEPEMHPEDTQHAIGDADTVHNAY
GHRWAEMLYQQQLDQFPELRPFIMMRAGFVGSQRYGMIPWTGDVSRTWGG
LASQVELALQMSLLGFGYIHSDLGGFADGETLDKEMYIRWLQYGVFQPVY
RPHGQDHIPSEPVFQDEETKAILRPLVKLRYRMLPYIYTAAYQNTLTGMP
LMRPLFFSDEKNPALIDNKTSYFWGDSLLVTPITQAGVESVSIPAPKGVW
FDFWKDTRYQTDGAPLTLPTDLHTIPVLVKAGAFMPYVPAVSTTEDYRSD
SLEIHYYADASVPLAQGEIFEDDGKDPNSIKRNQFDLLTLQATHTDNQLH
FQLARTGKGYRGMPERRATTLVIHNASDQYQHLDINGKTIAIAQADCAST
PALACYDQERRQLQLVFTWGREALNLRLHK
Ligand information
Ligand ID56I
InChIInChI=1S/C7H15NO7S/c9-2-3-4(8-16(13,14)15)1-5(10)7(12)6(3)11/h3-12H,1-2H2,(H,13,14,15)/t3-,4+,5-,6+,7+/m0/s1
InChIKeyQOECHHYORUOADE-PJEQPVAWSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1C(C(C(C(C1O)O)O)CO)NS(=O)(=O)O
CACTVS 3.385OC[CH]1[CH](O)[CH](O)[CH](O)C[CH]1N[S](O)(=O)=O
OpenEye OEToolkits 2.0.7C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)NS(=O)(=O)O
CACTVS 3.385OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)C[C@H]1N[S](O)(=O)=O
FormulaC7 H15 N O7 S
Name[(1R,2R,3R,4R,5S)-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)cyclohexyl]sulfamic acid
ChEMBL
DrugBank
ZINC
PDB chain7p4d Chain AAA Residue 905 [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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PDB7p4d 1,6- epi-Cyclophellitol Cyclosulfamidate Is a Bona Fide Lysosomal alpha-Glucosidase Stabilizer for the Treatment of Pompe Disease.
Resolution1.85 Å
Binding residue
(original residue number in PDB)		F271 D299 W410 D412 R463 W477 D480 F513 H540
Binding residue
(residue number reindexed from 1)		F234 D262 W373 D375 R426 W440 D443 F476 H503
Annotation score1
Enzymatic activity
Enzyme Commision number 2.4.1.161: oligosaccharide 4-alpha-D-glucosyltransferase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016757 glycosyltransferase activity
GO:0030246 carbohydrate binding
GO:0033825 oligosaccharide 4-alpha-D-glucosyltransferase activity
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7p4d, PDBe:7p4d, PDBj:7p4d
PDBsum7p4d
PubMed35917590
UniProtB3PEE6|OL4AG_CELJU Oligosaccharide 4-alpha-D-glucosyltransferase (Gene Name=agd31B)

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