Structure of PDB 8wom Chain A Binding Site BS01

Receptor Information
>8wom Chain A (length=1217) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EQSLPFFKLFSFADKFDYLLMFVGSLGAIVHGSSMPVFFLLFGQMVNGFG
KNQMDLHQMVHEVSRYSLYFVYLGLVVCFSSYAEIACWMYSGERQVAALR
KKYLEAVLKQDVGFFDTDARTGDIVFSVSTDTLLVQDAISEKVGNFIHYL
STFLAGLVVGFVSAWKLALLSVAVIPGIAFAGGLYAYTLTGITSKSRESY
ANAGVIAEQAIAQVRTVYSYVGESKALNAYSDAIQYTLKLGYKAGMAKGL
GLGCTYGIACMSWALVFWYAGVFIRNGQTDGGKAFTAIFSAIVGGMSLGQ
SFSNLGAFSKGKAAGYKLMEIINQRPTIIQDPLDGKCLDQVHGNIEFKDV
TFSYPSRPDVMIFRNFNIFFPSGKTVAVVGGSGSGKSTVVSLIERFYDPN
SGQILLDGVEIKTLQLKFLREQIGLVNQEPALFATTILENILYGKPDATM
VEVEAAASAANAHSFITLLPKGYDTQVGERGVQLSGGQKQRIAIARAMLK
DPKILLLDEATSALDASSESIVQEALDRVMVGRTTVVVAHRLCTIRNVDS
IAVIQQGQVVETGTHEELIAKSGAYASLIRFQEMVSTRLSHSLSTKSLSL
RSGSLRNLSYSYSTGADGRIEMISNAETDRKTRAPENYFYRLLKLNSPEW
PYSIMGAVGSILSGFIGPTFAIVMSNMIEVFYYTDYDSMERKTKEYVFIY
IGAGLYAVGAYLIQHYFFSIMGENLTTRVRRMMLSAILRNEVGWFDEDEH
NSSLIAARLATDAADVKSAIAERISVILQNMTSLLTSFIVAFIVEWRVSL
LILGTFPLLVLANFAQQLSLKGFAGDTAKAHAKTSMIAGEGVSNIRTVAA
FNAQSKILSLFCHELRVPQKRSLYRSQTSGFLFGLSQLALYGSEALILWY
GAHLVSKGVSTFSKVIKVFVVLVITANSVAETVSLAPEIIRGGEAVGSVF
SVLDRQTRIDPDDADADPVETIRGDIEFRHVDFAYPSRPDVMVFRDFNLR
IRAGHSQALVGASGSGKSSVIAMIERFYDPLAGKVMIDGKDIRRLNLKSL
RLKIGLVQQEPALFAATIFDNIAYGKDGATESEVIDAARAANAHGFISGL
PEGYKTPVGERGVQLSGGQKQRIAIARAVLKNPTVLLLDEATSALDAESE
CVLQEALERLMRGRTTVVVAHRLSTIRGVDCIGVIQDGRIVEQGSHSELV
SRPEGAYSRLLQLQTHR
Ligand information
Ligand IDBLD
InChIInChI=1S/C28H48O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-32H,7-13H2,1-6H3/t15-,16-,17-,18+,19-,20-,21+,22-,23+,24+,25+,27+,28+/m0/s1
InChIKeyIXVMHGVQKLDRKH-KNBKMWSGSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.2C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2COC(=O)[C@@H]4[C@@]3(C[C@H]([C@H](C4)O)O)C)C)[C@H]([C@@H]([C@@H](C)C(C)C)O)O
CACTVS 3.370CC(C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3COC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C
OpenEye OEToolkits 1.7.2CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2COC(=O)C4C3(CC(C(C4)O)O)C)C)O)O
ACDLabs 12.01O=C1OCC3C(C2(C1CC(O)C(O)C2)C)CCC4(C)C(C(C)C(O)C(O)C(C)C(C)C)CCC34
CACTVS 3.370CC(C)[CH](C)[CH](O)[CH](O)[CH](C)[CH]1CC[CH]2[CH]3COC(=O)[CH]4C[CH](O)[CH](O)C[C]4(C)[CH]3CC[C]12C
FormulaC28 H48 O6
NameBrassinolide;
(3aS,5S,6R,7aR,7bS,9aS,10R,12aS,12bS)-10-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-5,6-dihydroxy-7a,9a-dime thylhexadecahydro-3H-benzo[c]indeno[5,4-e]oxepin-3-one
ChEMBL
DrugBank
ZINCZINC000008221384
PDB chain8wom Chain A Residue 1301 [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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PDB8wom Structure and function of the ABC transporter ABCB19 in brassinosteroid export
Resolution3.5 Å
Binding residue
(original residue number in PDB)		Y276 W283 F305 F704
Binding residue
(residue number reindexed from 1)		Y256 W263 F285 F670
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0010329 auxin efflux transmembrane transporter activity
GO:0016887 ATP hydrolysis activity
GO:0140359 ABC-type transporter activity
Biological Process
GO:0008361 regulation of cell size
GO:0009637 response to blue light
GO:0009639 response to red or far red light
GO:0009640 photomorphogenesis
GO:0009733 response to auxin
GO:0009734 auxin-activated signaling pathway
GO:0009926 auxin polar transport
GO:0009958 positive gravitropism
GO:0010218 response to far red light
GO:0010315 auxin export across the plasma membrane
GO:0010540 basipetal auxin transport
GO:0010541 acropetal auxin transport
GO:0043481 anthocyanin accumulation in tissues in response to UV light
GO:0048364 root development
GO:0048443 stamen development
GO:0048527 lateral root development
GO:0055085 transmembrane transport
GO:0060918 auxin transport
GO:0090691 formation of plant organ boundary
Cellular Component
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8wom, PDBe:8wom, PDBj:8wom
PDBsum8wom
PubMed38513023
UniProtQ9LJX0|AB19B_ARATH ABC transporter B family member 19 (Gene Name=ABCB19)

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