Structure of PDB 8wp0 Chain A Binding Site BS01

Receptor Information

>8wp0 Chain A (length=1217) Species: 3702 (Arabidopsis thaliana)

EQSLPFFKLFSFADKFDYLLMFVGSLGAIVHGSSMPVFFLLFGQMVNGFG
KNQMDLHQMVHEVSRYSLYFVYLGLVVCFSSYAEIACWMYSGERQVAALR
KKYLEAVLKQDVGFFDTDARTGDIVFSVSTDTLLVQDAISEKVGNFIHYL
STFLAGLVVGFVSAWKLALLSVAVIPGIAFAGGLYAYTLTGITSKSRESY
ANAGVIAEQAIAQVRTVYSYVGESKALNAYSDAIQYTLKLGYKAGMAKGL
GLGCTYGIACMSWALVFWYAGVFIRNGQTDGGKAFTAIFSAIVGGMSLGQ
SFSNLGAFSKGKAAGYKLMEIINQRPTIIQDPLDGKCLDQVHGNIEFKDV
TFSYPSRPDVMIFRNFNIFFPSGKTVAVVGGSGSGKSTVVSLIERFYDPN
SGQILLDGVEIKTLQLKFLREQIGLVNQEPALFATTILENILYGKPDATM
VEVEAAASAANAHSFITLLPKGYDTQVGERGVQLSGGQKQRIAIARAMLK
DPKILLLDQATSALDASSESIVQEALDRVMVGRTTVVVAHRLCTIRNVDS
IAVIQQGQVVETGTHEELIAKSGAYASLIRFQEMVSTRLSHSLSTKSLSL
RSGSLRNLSYSYSTGADGRIEMISNAETDRKTRAPENYFYRLLKLNSPEW
PYSIMGAVGSILSGFIGPTFAIVMSNMIEVFYYTDYDSMERKTKEYVFIY
IGAGLYAVGAYLIQHYFFSIMGENLTTRVRRMMLSAILRNEVGWFDEDEH
NSSLIAARLATDAADVKSAIAERISVILQNMTSLLTSFIVAFIVEWRVSL
LILGTFPLLVLANFAQQLSLKGFAGDTAKAHAKTSMIAGEGVSNIRTVAA
FNAQSKILSLFCHELRVPQKRSLYRSQTSGFLFGLSQLALYGSEALILWY
GAHLVSKGVSTFSKVIKVFVVLVITANSVAETVSLAPEIIRGGEAVGSVF
SVLDRQTRIDPDDADADPVETIRGDIEFRHVDFAYPSRPDVMVFRDFNLR
IRAGHSQALVGASGSGKSSVIAMIERFYDPLAGKVMIDGKDIRRLNLKSL
RLKIGLVQQEPALFAATIFDNIAYGKDGATESEVIDAARAANAHGFISGL
PEGYKTPVGERGVQLSGGQKQRIAIARAVLKNPTVLLLDQATSALDAESE
CVLQEALERLMRGRTTVVVAHRLSTIRGVDCIGVIQDGRIVEQGSHSELV
SRPEGAYSRLLQLQTHR

Ligand information

• Ligand ID: ATP
• InChI: InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
• InChIKey: ZKHQWZAMYRWXGA-KQYNXXCUSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
  CACTVS 3.341: Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
  ACDLabs 10.04: O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
  OpenEye OEToolkits 1.5.0: c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
  CACTVS 3.341: Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
• Formula: C10 H16 N5 O13 P3
• Name: ADENOSINE-5'-TRIPHOSPHATE
• ChEMBL: CHEMBL14249
• DrugBank: DB00171
• ZINC: ZINC000004261765
• PDB chain: 8wp0 Chain A Residue 1301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8wp0 Structure and function of the ABC transporter ABCB19 in brassinosteroid export
• Resolution: 3.4 Å
• Binding residue (original residue number in PDB): G405 K406 S407 Q529
• Binding residue (residue number reindexed from 1): G385 K386 S387 Q509
• Annotation score: 5

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

External links

• PDB: RCSB:8wp0, PDBe:8wp0, PDBj:8wp0
• PDBsum: 8wp0
• PubMed: 38513023
• UniProt: Q9LJX0|AB19B_ARATH ABC transporter B family member 19 (Gene Name=ABCB19)