Structure of PDB 5x3j Chain A Binding Site BS03

Receptor Information
>5x3j Chain A (length=718) Species: 479435 (Kribbella flavida DSM 17836) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIKHRPHGIEHPYAVSPDQRVPVLPLAGEPVLLGVVAPEADRVVCEWGTL
ELPLSATSAAAADAAALAGGEGHLSEAQADGAWSVQTPPLAEPVKYRFHA
HRGGAAESTEWFEVSPAVWTADGVGEVRGGGERVRGVEWLVSSQGVHRGR
FRLQLQDGDRLVGFGERYDALDQRGRELDAVVFEQYKAQGVHGRTYLPMP
FAHVVGADGNGWGFHVRTSRRTWYSSAGNELTVEVALGDEPVVDLAIYEG
DPATVLTGFLDEVGRAEELPGWVFRLWASGNEWNTQQLVTARMDTHRDLA
IPVGAVVIEAWSDEQGITIWRDAVYAVTEDGSAHRAEDFSYRPDGAWPDP
KAMIDELHARGIKVILWQIPLQKTEFSTGQVAADAAAMVRDGHAVLEADG
TAYRNRGWWFPQALMPDLSVQRTRDWWTEKRRYLVEHFDVDGFKTAGGEH
AWGHDLVYADGRKGDEGNNLYPVHYARAFGDLLRSAGKAPVTFSRAGFTG
SQAHGIFWAGDEDSTWQAFRSSVTAGLTAASCGIVYWGWDLAGFSGPVPD
AELYLRAAAASAFMPIMQYHSEFNHHQLPLRDRTPWHVAETTGDDRVVPL
FRRFATLRESLVPYLTEQAARTIATDRPLMRPLFFDHENDPEIWNHPYQY
LLGDELLINPVLEPGATTWTTYLPAGEWIDVWTGDRVPSGLVTRDVPLEV
VPVYCRASRWSELQPVFS
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 C Residue 3 [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)		N286 E319 W372 F578
Binding residue
(residue number reindexed from 1)		N281 E314 W367 F573
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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