Structure of PDB 3uer Chain A Binding Site BS02

Receptor Information
>3uer Chain A (length=651) Species: 319795 (Deinococcus geothermalis DSM 11300) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GPLGSMLKDVLTSELAAQVRDAFDDDRDAETFLLRLERYGEDLWESLRAV
YGDQVRALPGRLLEVMLHAYHARPAELRRLDEARLLRPDWLQRPEMVGYV
AYTDRFAGTLKGVEERLDYLEGLGVKYLHLMPLLRPREGENDGGYAVQDY
RAVRPDLGTMDDLSALARALRGRGISLVLDLVLNHVAREHAWAQKARAGD
PKYRAYFHLFPDRRGPDAFEATLPEIFPDFAPGNFSWDEEIGEGEGGWVW
TTFNSYQWDLNWANPDVFLEFVDIILYLANRGVEVFRLDAIAFIWKRLGT
DCQNQPEVHHLTRALRAAARIVAPAVAFKAEAIVAPADLIHYLGTRAHHG
KVSDMAYHNSLMVQLWSSLASRNTRLFEEALRAFPPKPTSTTWGLYVRCH
DDIGWAISDEDAARAGLNGAAHRHFLSDFYSGQFPGSFARGLVFQYNPVN
GDRRISGSAASLAGLEAALETGDPGRIEDAVRRLLLLHTVILGFGGVPLL
YMGDELALLNDYAFEDVPEHAPDNRWVHRPQMDWALAERVRQEPSSPAGR
VNTGLRHLLRVRRDTPQLHASIESQVLPSPDSRALLLRRDHPLGGMVQVY
NFSEETVMLPSHVLRDVLGDHVQDRLSGSAFRLDRPTVRLEGYRALWLTA
G
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 chain3uer Chain B Residue 2 [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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PDB3uer Structural Investigation of the Thermostability and Product Specificity of Amylosucrase from the Bacterium Deinococcus geothermalis.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		D137 Y140 H180 F248 D284 H395 D396 R520
Binding residue
(residue number reindexed from 1)		D142 Y145 H185 F253 D289 H400 D401 R525
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D175 D284 E326 H395 D396
Catalytic site (residue number reindexed from 1) D180 D289 E331 H400 D401
Enzyme Commision number 2.4.1.4: amylosucrase.
Gene Ontology
Molecular Function
GO:0047669 amylosucrase activity
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3uer, PDBe:3uer, PDBj:3uer
PDBsum3uer
PubMed22210773
UniProtQ1J0W0

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