Structure of PDB 5aee Chain A Binding Site BS02

Receptor Information
>5aee Chain A (length=667) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QFHQNNDSFTLHFQQRLILTHSKDNPCLWIGSGIADIDMFRGNFSIKDKL
QEKIALTDAIVSQSPDGWLIHFSRGSDISATLNISADDQGRLLLELQNDN
LNHNRIWLRLAAQPEDHIYGCGEQFSYFDLRGKPFPLWTSEQGVGRNKQT
YVTWQADCKENAGGDYYWTFFPQPTFVSTQKYYCHVDNSCYMNFDFSAPE
YHELALWEDKATLRFECADTYISLLEKLTALLGRQPELPDWIYDGVTLGI
QGGTEVCQKKLDTMRNAGVKVNGIWAQDWSGIRMTSFGKRVMWNWKWNSE
NYPQLDSRIKQWNQEGVQFLAYINPYVASDKDLCEEAAQHGYLAKDASGG
DYLVEFGEFYGGVVDLTNPEAYAWFKEVIKKNMIELGCGGWMADFGEYLP
TDTYLHNGVSAEIMHNAWPALWAKCNYEALEETGKLGEILFFMRAGSTGS
QKYSTMMWAGNQNVDWSLDDGLASVVPAALSLAMTGHGLHHSDIGGYTTL
FEMKRSKELLLRWCDFSAFTPMMRTHEGNRPGDNWQFDGDAETIAHFARM
TTVFTTLKPYLKEAVALNAKSGLPVMRPLFLHYEDDAHTYTLKYQYLLGR
DILVAPVHEEGRSDWTLYLPEDNWVHAWTGEAFRGGEVTVNAPIGKPPVF
YRADSEWAALFASLKSI
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 chain5aee Chain A Residue 1680 [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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PDB5aee Yihq is a Sulfoquinovosidase that Cleaves Sulfoquinovosyl Diacylglyceride Sulfolipids.
Resolution1.85 Å
Binding residue
(original residue number in PDB)		Q15 N16
Binding residue
(residue number reindexed from 1)		Q4 N5
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.1.199: sulfoquinovosidase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0030246 carbohydrate binding
GO:1990929 sulfoquinovosidase activity
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0061720 6-sulfoquinovose(1-) catabolic process to glycerone phosphate and 3-sulfolactaldehyde

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5aee, PDBe:5aee, PDBj:5aee
PDBsum5aee
PubMed26878550
UniProtP32138|SQASE_ECOLI Sulfoquinovosidase (Gene Name=yihQ)

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