Structure of PDB 5aee Chain B Binding Site BS01

Receptor Information
>5aee Chain B (length=668) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DFQFHQNNDSFTLHFQQRLILTHSKDNPCLWIGSGIADIDMFRGNFSIKD
KLQEKIALTDAIVSQSPDGWLIHFSRGSDISATLNISADDQGRLLLELQN
DNLNHNRIWLRLAAQPEDHIYGCGEQFSYFDLRGKPFPLWTSEQGVGRNK
QTYVTWQADCKENAGGDYYWTFFPQPTFVSTQKYYCHVDNSCYMNFDFSA
PEYHELALWEDKATLRFECADTYISLLEKLTALLGRQPELPDWIYDGVTL
GIQGGTEVCQKKLDTMRNAGVKVNGIWAQDWSGIRMTSFGKRVMWNWKWN
SENYPQLDSRIKQWNQEGVQFLAYINPYVASDKDLCEEAAQHGYLAKDAS
GGDYLVEFGEFYGGVVDLTNPEAYAWFKEVIKKNMIELGCGGWMADFGEY
LPTDTYLHNGVSAEIMHNAWPALWAKCNYEALEETGKLGEILFFMRAGST
GSQKYSTMMWAGNQNVDWSLDDGLASVVPAALSLAMTGHGLHHSDIGGYT
TLFEMKRSKELLLRWCDFSAFTPMMRTHEGNRPGDNWQFDGDAETIAHFA
RMTTVFTTLKPYLKEAVALNAKSGLPVMRPLFLHYEDDAHTYTLKYQYLL
GRDILVAPVHEEGRSDWTLYLPEDNWVHAWTGEAFRGGEVTVNAPIGKPP
VFYRADSEWAALFASLKS
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 B Residue 1678 [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)		Q153 G154 N472 D481
Binding residue
(residue number reindexed from 1)		Q144 G145 N463 D472
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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