Structure of PDB 8rw3 Chain B Binding Site BS02

Receptor Information
>8rw3 Chain B (length=781) Species: 498211 (Cellvibrio japonicus Ueda107) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AVFYKEHKLRNDGLVITTNQGNIRLQFKSEAAIEVLYRADSKQLPSFALA
QPESAIKAQLTETENHLQFSGGTLTARIQKRPFAISYYRDSELLLAEESG
FQVNKINFRFYLSPGEKILGGGQRILGMDRRGQRFPLYNRAHYGYSDHSG
QMYFGLPAIMSSKQYILVFDNSASGAMDIGKTESDILQLEAKSGRSAYIL
VAGNSYPSLIENFTQVTGRQPLPPRWALGSFASRFGYRSEAETRATVQKY
KTEDFPLDTIVLDLYWFGKDIKGHMGNLDWDKENFPTPLDMMADFKQQGV
KTVLITEPFVLTSSKRWDDAVKAKALAKDPQGQPKAFELYFGNGGIIDVF
SKEGSRWFSSIYKDLSKQGVAGWWGDLGEPEMHPEDTQHAIGDADTVHNA
YGHRWAEMLYQQQLDQFPELRPFIMMRAGFVGSQRYGMIPWTGDVSRTWG
GLASQVELALQMSLLGFGYIHSDLGGFADGETLDKEMYIRWLQYGVFQPV
YRPHGQDHIPSEPVFQDEETKAILRPLVKLRYRMLPYIYTAAYQNTLTGM
PLMRPLFFSDEKNPALIDNKTSYFWGDSLLVTPITQAGVESVSIPAPKGV
WFDFWKDTRYQTDGAPLTLPTDLHTIPVLVKAGAFMPYVPAVSTTEDYRS
DSLEIHYYADASVPLAQGEIFEDDGKDPNSIKRNQFDLLTLQATHTDNQL
HFQLARTGKGYRGMPERRATTLVIHNASDQYQHLDINGKTIAIAQADCAS
TPALACYDQERRQLQLVFTWGREALNLRLHK
Ligand information
Ligand IDOXL
InChIInChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)/p-2
InChIKeyMUBZPKHOEPUJKR-UHFFFAOYSA-L
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		[O-]C(=O)C([O-])=O
OpenEye OEToolkits 1.5.0C(=O)(C(=O)[O-])[O-]
FormulaC2 O4
NameOXALATE ION
ChEMBL
DrugBank
ZINC
PDB chain8rw3 Chain B Residue 903 [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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PDB8rw3 Conformational and Electronic Variations in 1,2- and 1,5a-Cyclophellitols and their Impact on Retaining alpha-Glucosidase Inhibition.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		S764 K817
Binding residue
(residue number reindexed from 1)		S728 K781
Annotation score3
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:0030246 carbohydrate binding
Biological Process
GO:0005975 carbohydrate metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:8rw3, PDBe:8rw3, PDBj:8rw3
PDBsum8rw3
PubMed38623783
UniProtB3PEE6|OL4AG_CELJU Oligosaccharide 4-alpha-D-glucosyltransferase (Gene Name=agd31B)

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