Structure of PDB 5x3j Chain A Binding Site BS01

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 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5x3j Glycoside hydrolase mutant in complex with substrate
Resolution2.3 Å
Binding residue
(original residue number in PDB)		H73 E189 Y191 W413 W414 R500 D516 E577
Binding residue
(residue number reindexed from 1)		H73 E184 Y186 W408 W409 R495 D511 E572
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

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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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