Structure of PDB 5x7q Chain B Binding Site BS13

Receptor Information
>5x7q Chain B (length=1247) Species: 1117987 (Paenibacillus sp. 598K) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MAGLGNVTGAVASGDSLTLTLDNGTSASDILELDVLSEELLRVDYRPSGA
APSPSTPMIDPDASWDAVGATIDTSGDPIVVTTPRMRIEIARTPARMTIK
KADGTTLLWEPASGGVFEDGVRFQRGSTDNIYGIRSFNAQEDVGGLLRNS
SDHPAHAGQQGDAGGPFMWSTAGYGVLVDSDGGYPYTDTTGKLEFYYGGT
PTEGRRYTKTNVEYYIMVGEPKEIMASYAQVTGTAPMLPKWSLGFMNFEW
GIDQDELEAHVDGYRARNIPIDAFALDYDWMDYGEDNYGEFRWNTDNFPD
AATTQLKEDMEAEGIRLIGIRKPRIITRDFANQRTQQYYDADSNGYFYPG
HNEYTDYFIPVTVRSFDPYQQASRDWWWQHSIDAFDKGIVGWWNDETDKV
DSGSAQYWFGNFSTGFTSQAMYDGQRDYTNDGVRVWQTARSYYPGAQRYA
TTLWSGDIGTQFYKGELFNWAPGMQEQPRIMLSSANLGQPKWGMDTGGFN
SLGGASGPNPSPELYTRWMQFGAFTPVFRVHGNYNQQRQPWLYGATAEEA
SKAVMHTRYSLLPYMYAYEREASETGLGLIKPLLFDYPNDPQAADYTEAW
MFGDWLLVSPVLGEAQHSKQIYLPAGTWIDYHRGQTYSGGQTIHYPVNAD
TWTDVPLFVKQGAIIPNQQVLDYVDQQSVTTVNVDIFPSASETSFTYYED
DGSSYDYESGSSFEQRLAAQDLSSSVRVEVGAGSGSYTPDVQHYVLKIHG
RAGSAVTAGGSALTGYGDLQALQAASGSGWASGRDIYGDVTYVKLPAASG
SATVVEVSGSAPSAATHAIYEVEDASRSGATPTTRAGINTNHSGYSGSGF
VDKLDVPGAAVTVYANAPVSGDYPVELRYANGSGSAKTLSVYVNAARVQQ
LSLADTGAWSQWGTQTTTLPLTAGQNIITYKYDSDAGDTGGVNLDYIRVP
FAPTQAEYAAESAKLWGGAGTSQDHWFYKGAAFVDNLTGVGAEASFDVYA
PSAGTYNLSLRYANGTGSTKTLSAIVNGGAASTVTLTSPGMNWNLWNEHT
MTATLTAGRNTISFRRNSGNSGNVNLDRLAVSASAITTLASERNLLDNGD
FERDTTYNSNWTQWQPSGQPSAFGIDSGNALHPPEGPARRNQRAYFHSDN
AYQQSIHQVVDVPVNNATYRLEAKVRMKNTTPTTARAEVQGHGGSPIYAN
ISNDGVWKTIVIDNINVTSGSVDVGFYVDSPGYTTLHIDEVTLTRAP
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 chain5x7q Chain B Residue 1301 [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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PDB5x7q Carbohydrate-binding architecture of the multi-modular alpha-1,6-glucosyltransferase from Paenibacillus sp. 598K, which produces alpha-1,6-glucosyl-alpha-glucosaccharides from starch
Resolution1.95 Å
Binding residue
(original residue number in PDB)		E855 E857 S880 G883 D979
Binding residue
(residue number reindexed from 1)		E821 E823 S846 G849 D945
Annotation score4
Enzymatic activity
Enzyme Commision number '2.4.1.-
3.2.1.20'
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016787 hydrolase activity
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:5x7q, PDBe:5x7q, PDBj:5x7q
PDBsum5x7q
PubMed28698247
UniProtA0A193PKW5

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