Structure of PDB 6b9p Chain A Binding Site BS01

Receptor Information
>6b9p Chain A (length=933) Species: 3823 (Canavalia ensiformis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKYNTGAGTVPEQLNVHLVPHSHDDVGWLKTVDQYYVGSENYIQEACVEN
VLDSVVMSLQRDPNRKFVFGEMAFFHRWWLEQTPETKELVRKLVKAGQLE
FVNGGWCMHDEATTHYIDMIDHTTLGHRFIQEQFNKIPRAGWQIDPFGHS
AVQGYLLGAELGFDSVHFARIDYQDREKRKAEKSLEVVWRGSKTFGSSAQ
IFANAFPGHYGPPNGFNFEVRNNFVPLQDDPRLFDTNVEERVQNFIDAAL
TQAKITRTNHIMWTMGDDFQYQYAESWFKQMDKLIHHVNKDGRVNALYST
PSIYTEAKNAANQTWPLKIDDYFPYADGRNAYWTGFYTSRSALKDYVRML
SGYYLATRQLGFFAGKKSTKYHAFDLADALGIAQHHDAVSGTAKQHTTND
YAKRLAIGASKAEAVVSSSLACLTSKCSAPASAFSQCHLFNISYCPPTES
SIPDDKSLVVVVYNPLGWSRNEIVRIPVNDANLVVKDSSGNKLEVQYVEM
DDVTANLRSFYVKAYEGEVPKDADVYWSLFKASVPPLGWSTYFISEALNI
GPGDLKMSFSGQLKRMYNSKTGVDIPIQQNYLWYESSEGDFSDYQASGAY
IFRPNGQPPPHTSSVTRVTRGPLVDEVHQKFNSWISQVTRLYKDKDHAEI
EFTIGPIPTDDGVGKEVITRMTSTMATNKEFYTDSNGRDFLKRVRDYRED
WPLEVTQPVAGNYYPLNLGIYTKDEKSEFSVLVDRATGGASIKDGEVELM
LHRRTIRDDGRGVGEPLDEQVCMTCEGLTVRGNYYLSIHKPAAGSRWRRT
TGQEIYSPMLLAFTQENMENWKSSHSTKGIFMDPNYSLPPSVALITLEEL
DDGLVLLRLAHLYEPSEDAEYSTLTKVELKKLFATQKIEELREVSLSANQ
EKSEMKKMKWSVEGDDFVVELGPMEIRTFLLQF
Ligand information
Ligand IDBMA
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-RWOPYEJCSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-mannopyranose;
beta-D-mannose;
D-mannose;
mannose
ChEMBL
DrugBank
ZINCZINC000003830679
PDB chain6b9p 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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PDB6b9p Structural Basis of Outstanding Multivalent Effects in Jack Bean alpha-Mannosidase Inhibition.
Resolution1.996 Å
Binding residue
(original residue number in PDB)		A402 K403 Y520
Binding residue
(residue number reindexed from 1)		A402 K403 Y515
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.24: alpha-mannosidase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004559 alpha-mannosidase activity
GO:0016787 hydrolase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0030246 carbohydrate binding
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0006013 mannose metabolic process
Cellular Component
GO:0000326 protein storage vacuole
GO:0005773 vacuole

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6b9p, PDBe:6b9p, PDBj:6b9p
PDBsum6b9p
PubMed29722924
UniProtC0HJB3|MANA_CANEN Alpha-mannosidase

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