Structure of PDB 6zfc Chain B Binding Site BS02

Receptor Information
>6zfc Chain B (length=87) Species: 339670 (Burkholderia ambifaria AMMD) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MQTAAISWGTTPSIRVYTANGNKITERCYDGSNWYTGAFNQAGDNVSATC
WLSGSAVHIRVYATSGGSTTEWCWDGDGWTRGAYTGL
Ligand information
Ligand IDQJB
InChIInChI=1S/C17H23NO6S/c1-9-14(21)15(22)16-17(23-9)24-11-4-3-10(7-12(11)25-16)8-13(20)18-5-2-6-19/h3-4,7,9,14-17,19,21-22H,2,5-6,8H2,1H3,(H,18,20)/t9-,14+,15+,16-,17-/m0/s1
InChIKeyREDZBLYPLDKUEX-SSFHUKSJSA-N
SMILES
SoftwareSMILES
CACTVS 3.385C[CH]1O[CH]2Oc3ccc(CC(=O)NCCCO)cc3S[CH]2[CH](O)[CH]1O
OpenEye OEToolkits 2.0.7CC1C(C(C2C(O1)Oc3ccc(cc3S2)CC(=O)NCCCO)O)O
CACTVS 3.385C[C@@H]1O[C@H]2Oc3ccc(CC(=O)NCCCO)cc3S[C@H]2[C@H](O)[C@@H]1O
OpenEye OEToolkits 2.0.7C[C@H]1[C@H]([C@H]([C@H]2[C@@H](O1)Oc3ccc(cc3S2)CC(=O)NCCCO)O)O
FormulaC17 H23 N O6 S
Name2-[(2~{S},3~{S},4~{R},4~{a}~{S},10~{a}~{S})-2-methyl-3,4-bis(oxidanyl)-3,4,4~{a},10~{a}-tetrahydro-2~{H}-pyrano[2,3-b][1,4]benzoxathiin-7-yl]-~{N}-(3-oxidanylpropyl)ethanamide
ChEMBL
DrugBank
ZINC
PDB chain6zfc Chain B Residue 102 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB6zfc Fucosylated ubiquitin and orthogonally glycosylated mutant A28C: conceptually new ligands for Burkholderia ambifaria lectin (BambL).
Resolution1.65 Å
Binding residue
(original residue number in PDB)		R60 E71 G82 A83
Binding residue
(residue number reindexed from 1)		R60 E71 G82 A83
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links