Structure of PDB 5x3j Chain B Binding Site BS01

Receptor Information
>5x3j Chain B (length=714) Species: 479435 (Kribbella flavida DSM 17836) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIKHRPHGIEHPYAVSPDQRVPVLPLAGEPVLLGVVAPEADRVVCEWGTL
ELPLSATSAAAADAAALAGGEGHLSDGAWSVQTPPLAEPVKYRFHAHRGG
AAESTEWFEVSPAVWTADGVGEVRGGGERVRGVEWLVSSQGVHRGRFRLQ
LQDGDRLVGFGERYDALDQRGRELDAVVFEQYKAQGVHGRTYLPMPFAHV
VGADGNGWGFHVRTSRRTWYSSAGNELTVEVALGDEPVVDLAIYEGDPAT
VLTGFLDEVGRAEELPGWVFRLWASGNEWNTQQLVTARMDTHRDLAIPVG
AVVIEAWSDEQGITIWRDAVYAVTEDGSAHRAEDFSYRPDGAWPDPKAMI
DELHARGIKVILWQIPLQKTEFSTGQVAADAAAMVRDGHAVLEADGTAYR
NRGWWFPQALMPDLSVQRTRDWWTEKRRYLVEHFDVDGFKTAGGEHAWGH
DLVYADGRKGDEGNNLYPVHYARAFGDLLRSAGKAPVTFSRAGFTGSQAH
GIFWAGDEDSTWQAFRSSVTAGLTAASCGIVYWGWDLAGFSGPVPDAELY
LRAAAASAFMPIMQYHSEFNHHQLPLRDRTPWHVAETTGDDRVVPLFRRF
ATLRESLVPYLTEQAARTIATDRPLMRPLFFDHENDPEIWNHPYQYLLGD
ELLINPVLEPGATTWTTYLPAGEWIDVWTGDRVPSGLVTRDVPLEVVPVY
CRASRWSELQPVFS
Ligand information
Ligand IDGLC
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1
InChIKeyWQZGKKKJIJFFOK-DVKNGEFBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-glucopyranose;
alpha-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL423707
DrugBank
ZINCZINC000003861213
PDB chain5x3j Chain D Residue 1 [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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PDB5x3j Glycoside hydrolase mutant in complex with substrate
Resolution2.3 Å
Binding residue
(original residue number in PDB)		H73 E189 W413 W414 R500 D516 E577
Binding residue
(residue number reindexed from 1)		H73 E180 W404 W405 R491 D507 E568
Annotation score3
Enzymatic activity
Enzyme Commision number 3.2.1.204: 1,3-alpha-isomaltosidase.
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
Biological Process
GO:0000272 polysaccharide catabolic process
GO:0005975 carbohydrate metabolic process
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5x3j, PDBe:5x3j, PDBj:5x3j
PDBsum5x3j
PubMed
UniProtD2PPM7|AIMA_KRIFD 1,3-alpha-isomaltosidase (Gene Name=Kfla_1895)

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