Structure of PDB 5x7q Chain A Binding Site BS19

Receptor Information
>5x7q Chain A (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 IDBGC
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-VFUOTHLCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-glucopyranose;
beta-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL1614854
DrugBankDB02379
ZINCZINC000003833800
PDB chain5x7q Chain B Residue 1401 [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)		W284 D311 Y312 K356
Binding residue
(residue number reindexed from 1)		W250 D277 Y278 K322
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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