Structure of PDB 8y2h Chain F Binding Site BS03

Receptor Information
>8y2h Chain F (length=267) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DRSRAFARDVKRIVVKVGTAVVTGKGGRLALGRLGALCEQLAELNSDGFE
VILVSSGAVGLGRQRLRYRQLVNSSFADLQKPQTELDGKACAGVGQSSLM
AYYETMFDQLDVTAAQLLVNDSSFRDKDFRKQLNETVKSMLDLRVIPIFN
ENDAISTRSSGIFWDNDSLAALLALELKADLLILLSDVEGLYTGPPSDPN
SKLIHTFVKEKHQDEITFGMTAKVKAAVNAAYAGIPVIITSGYSAENIDK
VLRGLRVGTLFHQDARL
Ligand information
Ligand IDATP
InChIInChI=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
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(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 3.341Nc1ncnc2n(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
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain8y2h Chain F Residue 801 [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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PDB8y2h Dynamic Arabidopsis P5CS filament facilitates substrate channelling.
Resolution3.3 Å
Binding residue
(original residue number in PDB)		G22 T23 D177 D197 P206 F228 M239 K242
Binding residue
(residue number reindexed from 1)		G18 T19 D167 D187 P196 F218 M220 K223
Annotation score5
Enzymatic activity
Enzyme Commision number 1.2.1.41: glutamate-5-semialdehyde dehydrogenase.
2.7.2.11: glutamate 5-kinase.
Gene Ontology
Molecular Function
GO:0004349 glutamate 5-kinase activity
GO:0004350 glutamate-5-semialdehyde dehydrogenase activity
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0016491 oxidoreductase activity
GO:0017084 delta1-pyrroline-5-carboxylate synthetase activity
Biological Process
GO:0006561 proline biosynthetic process
GO:0006979 response to oxidative stress
GO:0009084 glutamine family amino acid biosynthetic process
GO:0009414 response to water deprivation
GO:0009555 pollen development
GO:0009651 response to salt stress
GO:0016310 phosphorylation
GO:0042538 hyperosmotic salinity response
GO:0048364 root development
GO:0055129 L-proline biosynthetic process
Cellular Component
GO:0005737 cytoplasm
GO:0005794 Golgi apparatus
GO:0009507 chloroplast

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8y2h, PDBe:8y2h, PDBj:8y2h
PDBsum8y2h
PubMed38740943
UniProtP54887|P5CS1_ARATH Delta-1-pyrroline-5-carboxylate synthase A (Gene Name=P5CSA)

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