Structure of PDB 8ic1 Chain A Binding Site BS10

Receptor Information
>8ic1 Chain A (length=479) Species: 69365 (Microbacterium arabinogalactanolyticum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TTSRTPATVVEKLTGPDAPNNTWGRWDIKATDLGIMWDDGAGHVLTAFGN
TFGNSWTGPGGGAPPNGNWRSNVLVRSSDGDLADGMLFDWAAQGPQGVAR
EIIPSKKINGVEITTIPTTGISVGKRQYLGFMSVKQWGPPGVWDTNFAGI
AYSDDGGGTWKVSDTRWENADGHDPFQMQAWVQKGGTIYVFGTQNGRNGP
ASVAKVPASKLLDKSAFRYWNGTDWSRKESDAVPVMDAPMSEMSVQYDAY
SKRFLMMTLSGEDIIMRTATAPEGPWTPAQTVASSTDYPALYGGYFHPWN
KDGEIYFTMSQWNPYNVYLMRLRIDRDGNIIDPNLVTDASFERSTTLGDG
TNGTWAAKPNSGIDNAPAAGFTGDHRAFVRYNSGWRDIWQDVAVERGAKY
RLTGFLRTSVNSDNGFFGARTLDGVPIGEINFHSVGAWTRFTVEFDAGDR
DAVQVFGGVWTNSGDIWMQLDDVSLTKVR
Ligand information
Ligand IDOYO
InChIInChI=1S/C8H14O5/c1-8(2)12-6-5(10)4(3-9)11-7(6)13-8/h4-7,9-10H,3H2,1-2H3/t4-,5-,6+,7+/m1/s1
InChIKeyJAUQZVBVVJJRKM-JWXFUTCRSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC1(OC2C(C(OC2O1)CO)O)C
CACTVS 3.385CC1(C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O1
CACTVS 3.385CC1(C)O[CH]2O[CH](CO)[CH](O)[CH]2O1
OpenEye OEToolkits 2.0.7CC1(O[C@H]2[C@@H]([C@H](O[C@H]2O1)CO)O)C
FormulaC8 H14 O5
Name(3~{a}~{S},5~{R},6~{R},6~{a}~{S})-5-(hydroxymethyl)-2,2-dimethyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
ChEMBL
DrugBank
ZINCZINC000000120392
PDB chain8ic1 Chain A Residue 508 [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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PDB8ic1 Identification and characterization of endo-alpha-, exo-alpha-, and exo-beta-D-arabinofuranosidases degrading lipoarabinomannan and arabinogalactan of mycobacteria.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		N51 G62 G63 W138 W313 Y316
Binding residue
(residue number reindexed from 1)		N50 G61 G62 W137 W312 Y315
Annotation score1
External links