Structure of PDB 1ug9 Chain A Binding Site BS05

Receptor Information
>1ug9 Chain A (length=1019) Species: 1665 (Arthrobacter globiformis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TAEPPGSPGAAATWTKGDKEGVGTSLNPASKVWYTLTEGTMSEVYYPHAD
TPNTRELQFAVSDGTSAQRESEQTTRTVELADPKALSYRQTTTDNAGRWR
LTKTYVTDPRRSTVMLGVTFEVLDGGDYQLFVLSDPSLAGTSGGDTGSVT
DGALLASDLADAATPVATALVSSVGFGAVANGYVGTSDGWTDLAADGRLD
NASATAGPGNISQTGQIPLAAGGKTEFSLALGFGADTAEALATAKASLGT
GYKKVSKSYTGEWKKYLNSLDAPATSLTGALRTQYDVSLMTVKSHEDKTF
PGAFIASLTIPWGQAASAETHREGYHAVWARDMYQSVTALLAAGDEEAAA
RGVEWLFTYQQQPDGHFPQTSRVDGTIGQNGIQLDETAFPILLANQIGRT
DAGFYRNELKPAADYLVAAGPKTPQERWEETGGYSTSTLASQIAALAAAA
DIAGKNGDAGSAAVYRATADEWQRSTEKWMFTTNGPVGDGKYYLRISATG
NPNDGATRDWGNGAGVHPENAVLDGGFLEFVRLGVKAPADPYVADSLAET
DASISQETPGGRMWHRYTYDGYGEKADGSPWDGTGIGRLWPLLSGERGEY
ALANGQDALPYLETMHSAANAGYMIPEQVWDRDEPTSYGHELGRSTGSAS
PLSWAMAQYVRLAAGVKAGAPVETPQNVAARYAAGTPLSSPELSVTAPEA
LSTADSATAVVRGTTNAAKVYVSVNGTATEAPVTDGTFSLDVALTGAKNK
VTVAAVAADGGTAVEDRTVLYYGSRIGALSDPAGDDNGPGTYRYPTNSAY
VPGAFDLTGVDVYDAGDDYAFVATIAGEVTNPWGGQAISHQRVNIYLGKG
EGGATPGLPGTNINLEHAWDSVIVTDGRFDGAGVYAPDGTRTSAVSLLAV
PEARQIVTRVPKAALGGLDPATARMSVAMFGNAESGEGIGNVRPVYDGAY
WEAGDPAWIKEWRFGGGAGVFDGTIPSRDTDTDDPNALDVLVGEGQTQAA
VLDWRAGSPVVVPMLGLQP
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 chain1ug9 Chain A Residue 2005 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ug9 Structural insights into substrate specificity and function of glucodextranase
Resolution2.5 Å
Binding residue
(original residue number in PDB)		D782 P783 D786 D807 L808 D990
Binding residue
(residue number reindexed from 1)		D781 P782 D785 D806 L807 D989
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.70: glucan 1,6-alpha-glucosidase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004339 glucan 1,4-alpha-glucosidase activity
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0030246 carbohydrate binding
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1ug9, PDBe:1ug9, PDBj:1ug9
PDBsum1ug9
PubMed14660574
UniProtQ9LBQ9

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