Structure of PDB 8woo Chain A Binding Site BS02

Receptor Information
>8woo 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 IDANP
InChIInChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1
InChIKeyPVKSNHVPLWYQGJ-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O
ACDLabs 12.01O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N
FormulaC10 H17 N6 O12 P3
NamePHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
ChEMBLCHEMBL1230989
DrugBank
ZINCZINC000008660410
PDB chain8woo Chain A Residue 1304 [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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PDB8woo Structure and function of the ABC transporter ABCB19 in brassinosteroid export
Resolution3.9 Å
Binding residue
(original residue number in PDB)		D780 Y1019 S1021 R1022 G1048 S1049 G1050 K1051 S1052 A1175
Binding residue
(residue number reindexed from 1)		D746 Y985 S987 R988 G1014 S1015 G1016 K1017 S1018 A1141
Annotation score3
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:8woo, PDBe:8woo, PDBj:8woo
PDBsum8woo
PubMed38513023
UniProtQ9LJX0|AB19B_ARATH ABC transporter B family member 19 (Gene Name=ABCB19)

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