Structure of PDB 7dk8 Chain A Binding Site BS01

Receptor Information
>7dk8 Chain A (length=558) Species: 39946 (Oryza sativa Indica Group) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EKLRFIDEMTTNVDAVQERVLGEILGRNAGTEYLTKCGLDGATDRAAFRA
KVPVVSYDDLQPYIQRIANGDRSPILSTHPVSEFLTSSGTSAGERKLMPT
IMDELDRRQLLYSLLMPVMNLYVPGLDKGKGLYFLFVKSETKTPGGLTAR
PVLTSYYKSDHFKNRPDPYHNYTSPTAAILCADAFQSMYAQMVCGLCQRN
DVLRLGAVFASGLLRAIRFLQLNWEQLADDIESGELTPRVTDPSVREAVA
AILLPDPELAKLIRAECSKGDWAGIITRVWPNTKYLDVIVTGAMAQYIPT
LEFYSGGLPMACTMYASSECYFGLNLRPMCDPSEVSYTIMPNMGYFEFLP
VDATQLVDLARVEVGREYELVITTYAGLNRYRVGDVLRVTGFHNAAPQFR
FVRRKNVLLSIESDKTDEAELQRAVERASALLRPHGASVVEYTSQACTKR
IPGHYVIYWELLTVVDADTLGRCCLEMEEALNTVYRQSRVADGSIGPLEI
RVVRPGTFEELMDYAISRGASINQYKVPRCVTFPPIVELLDSRVVSSHFS
PALPHWTP
Ligand information
Ligand IDAMP
InChIInChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyUDMBCSSLTHHNCD-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
ACDLabs 12.01O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
FormulaC10 H14 N5 O7 P
NameADENOSINE MONOPHOSPHATE
ChEMBLCHEMBL752
DrugBankDB00131
ZINCZINC000003860156
PDB chain7dk8 Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7dk8 Crystal structure of the acyl acid amido synthetase GH3-8 from Oryza sativa.
Resolution1.99 Å
Binding residue
(original residue number in PDB)		S110 I312 M337 A339 S340 S341 Y360 D416 F432 R435
Binding residue
(residue number reindexed from 1)		S88 I289 M314 A316 S317 S318 Y337 D385 F401 R404
Annotation score4
Enzymatic activity
Enzyme Commision number 6.3.2.-
Gene Ontology
Molecular Function
GO:0010279 indole-3-acetic acid amido synthetase activity
GO:0016208 AMP binding
GO:0016874 ligase activity
GO:0016881 acid-amino acid ligase activity
Biological Process
GO:0006952 defense response
GO:0009555 pollen development
GO:0009851 auxin biosynthetic process
GO:0140964 intracellular auxin homeostasis
GO:1900424 regulation of defense response to bacterium
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7dk8, PDBe:7dk8, PDBj:7dk8
PDBsum7dk8
PubMed33272567
UniProtA3BLS0|GH38_ORYSI Indole-3-acetic acid-amido synthetase GH3.8 (Gene Name=GH3.8)

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