Structure of PDB 7uvd Chain A Binding Site BS01

Receptor Information
>7uvd Chain A (length=649) Species: 100226 (Streptomyces coelicolor A3(2)) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PTVVGRIPVLDVRPVVQRGRRPAKAVTGESFEVSATVFREGHDAVGANVV
LRDPRGRPGPWTPMRELAPGTDRWGATVTAGETGTWSYTVEAWGDPVTTW
RHHARIKIPAGLDTDLVLEEGARLYERAAADVPGREDRRELLAAVDALRD
ESRPAASRLAAALTPQVDAVLARHPLRDLVTSSDPLPLLVERERALYGAW
YEFFPRSEGTPHTPHGTFRTAARRLPAIAAMGFDVVYLPPIHPIGTTHRK
GRNNTLSATGDDVGSPWAIGSPEGGHDSIHPALGTLDDFDHFVTEAGKLG
LEIALDFALQCSPDHPWVHKHPEWFHHRPDGTIAHAENPPKKYQDIYPIA
FDADPDGLATETVRILRHWMDHGVRIFRVDNPHTKPVAFWERVIADINGT
DPDVIFLAEAFTRPAMMATLAQIGFQQSYTYFTWRNTKQELTEYLTELSG
EAASYMRPNFFANTPDILHAYLQHGGRPAFEVRAVLAATLSPTWGIYSGY
ELCENTPLREGSEEYLDSEKYQLKPRDWTRAAREGTTIAPLVTRLNTIRR
ENPALRQLRDLHFHPTDKEEVIAYSKRQGSNTVLVVVNLDPRHTQEATVS
LDMPQLGLDWHESVPVRDELTGETYHWGRANYVRLEPGRTPAHVCTVLR
Ligand information
Ligand IDRT6
InChIInChI=1S/C19H33NO9/c21-7-9-6-11(20-10-4-2-1-3-5-10)13(23)16(26)18(9)29-19-17(27)15(25)14(24)12(8-22)28-19/h6,10-27H,1-5,7-8H2/t11-,12+,13-,14+,15-,16+,17+,18+,19+/m0/s1
InChIKeyYAIDDCWZVAZCDT-DXAFFUQDSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01OCC1=CC(NC2CCCCC2)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O
CACTVS 3.385OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](NC3CCCCC3)C=C2CO)[C@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 2.0.7C1CCC(CC1)N[C@H]2C=C(C(C([C@H]2O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CO
CACTVS 3.385OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](NC3CCCCC3)C=C2CO)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 2.0.7C1CCC(CC1)NC2C=C(C(C(C2O)O)OC3C(C(C(C(O3)CO)O)O)O)CO
FormulaC19 H33 N O9
Name(1R,4S,5S,6R)-4-(cyclohexylamino)-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl alpha-D-glucopyranoside
ChEMBL
DrugBank
ZINC
PDB chain7uvd Chain A Residue 701 [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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PDB7uvd Sco GlgEI-V279S in complex with cyclohexyl carbasugar
Resolution2.73 Å
Binding residue
(original residue number in PDB)		K264 S279 W281 K355 Y357 D359 I360 D394 N395 E423 D480 K534 Y535
Binding residue
(residue number reindexed from 1)		K250 S265 W267 K341 Y343 D345 I346 D380 N381 E409 D466 K520 Y521
Annotation score1
Enzymatic activity
Enzyme Commision number 2.4.99.16: starch synthase (maltosyl-transferring).
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0004556 alpha-amylase activity
GO:0016757 glycosyltransferase activity
GO:0016758 hexosyltransferase activity
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0009313 oligosaccharide catabolic process
GO:0030979 alpha-glucan biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7uvd, PDBe:7uvd, PDBj:7uvd
PDBsum7uvd
PubMed
UniProtQ9L1K2|GLGE1_STRCO Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1 (Gene Name=glgE1)

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