Structure of PDB 5e1q Chain A Binding Site BS03

Receptor Information
>5e1q Chain A (length=642) Species: 226186 (Bacteroides thetaiotaomicron VPI-5482) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GRHMELSPDGNLKTTITIGDRLTYDITCNGRQILTPSPISMTLDNGTVWG
ENAKLSGTSRKSVDEMIPSPFYRASELRNHYNGLTLRFKKDWNVEFRAYN
DGIAYRFVNQGKKPFRVVTEVSDYCFPSDMTASVPYVKSGKDGDYNSQFF
NSFENTYTTDKLSKLNKQRLMFLPLVVDAGDGVKVCITESDLENYPGLYL
SASEGANRLSSMHAPYPKRTVQGGHNQLQMLVKEHEDYIAKVDKPRNFPW
RIAVVTTTDKDLAATNLSYLLGAPSRMSDLSWIKPGKVAWDWWNDWNLDG
VDFVTGVNNPTYKAYIDFASANGIEYVILDEGWAVNLQADLMQVVKEIDL
KELVDYAASKNVGIILWAGYHAFERDMENVCRHYAEMGVKGFKVGFMDRD
DQEMTAFNYRAAEMCAKYKLILDLHGTHKPAGLNRTYPNVLNFEGVNGLE
QMKWSSPSVDQVKYDVMIPFIRQVSGPMDYTQGAMRNASKGNYYPCYSEP
MSQGTRCRQLALYVVFESPFNMLCDTPSNYMREPESTAFIAEIPTVWDES
IVLDGKMGEYIVTARRKGDVWYVGGITDWSARDIEVDCSFLGDKSYHATL
FKDGVNAHRAGRDYKCESFPIKKDGKLKVHLAPGGGFALKIK
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain5e1q Chain A Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB5e1q Efficient synthesis of alpha-galactosyl oligosaccharides using a mutant Bacteroides thetaiotaomicron retaining alpha-galactosidase (BtGH97b).
Resolution1.943 Å
Binding residue
(original residue number in PDB)		E174 E464 E470
Binding residue
(residue number reindexed from 1)		E154 E444 E450
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.1.22: alpha-galactosidase.
Gene Ontology
Molecular Function
GO:0004557 alpha-galactosidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0030246 carbohydrate binding
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:5e1q, PDBe:5e1q, PDBj:5e1q
PDBsum5e1q
PubMed28103425
UniProtQ8A6L0|AGAL_BACTN Retaining alpha-galactosidase (Gene Name=BT_1871)

[Back to BioLiP]