Structure of PDB 7vka Chain B Binding Site BS01

Receptor Information
>7vka Chain B (length=589) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SDESLAEKNKNKLQFIEDVTTNADDVQRRVLEEILSRNADVEYLKRHGLE
GRTDRETFKHIMPVVTYEDIQPEINRIANGDKSQVLCSNPISEFLTSSGT
SGGERKLMPTIEEELDRRSLLYSLLMPVMDQFVPGLDKGKGMYFLFIKSE
SKTPGGLPARPVLTSYYKSSHFKNRPYDPYTNYTSPNQTILCSDSYQSMY
SQMLCGLCQHKEVLRVGAVFASGFIRAIKFLEKHWPELARDIRTGTLSSE
ITDSSVREAVGEILKPDPKLADFVESECRKTSWQGIITRLWPNTKYVDVI
VTGTMSQYIPTLDYYSNGLPLVCTMYASSECYFGVNLRPLCKPSEVSYTL
IPNMAYFEFLPVHRNSGVTSSIKEQQELVDLVDVKLGQEYELVVTTYAGL
YRYRVGDVLSVAGFKNNAPQFSFICRKNVVLSIDSDKTDEVELQNAVKNA
VTHLVPFDASLSEYTSYADTSSIPGHYVLFWELCLNGNTPIPPSVFEDCC
LTIEESLNSVYRQGRVSDKSIGPLEIKMVESGTFDKLMDYAISLGASINQ
YKTPRCVKFAPIIELLNSRVVDSYFSPKCPKWSPGHKQW
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 chain7vka Chain B Residue 701 [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]
PDB7vka Chemical genetic screening identifies nalacin as an inhibitor of GH3 amido synthetase for auxin conjugation.
Resolution2.401 Å
Binding residue
(original residue number in PDB)		S110 I312 T314 Y338 A339 S340 S341 Y360 D427 F443 R446
Binding residue
(residue number reindexed from 1)		S98 I300 T302 Y326 A327 S328 S329 Y348 D407 F423 R426
Annotation score4
Enzymatic activity
Enzyme Commision number 6.3.2.-
Gene Ontology
Molecular Function
GO:0010279 indole-3-acetic acid amido synthetase activity
GO:0016874 ligase activity
Biological Process
GO:0009733 response to auxin
GO:0009734 auxin-activated signaling pathway
GO:0009826 unidimensional cell growth
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7vka, PDBe:7vka, PDBj:7vka
PDBsum7vka
PubMed36454752
UniProtQ9LSQ4|GH36_ARATH Indole-3-acetic acid-amido synthetase GH3.6 (Gene Name=GH3.6)

[Back to BioLiP]