Structure of PDB 8j0f Chain B Binding Site BS03

Receptor Information
>8j0f Chain B (length=270) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IDRSRAFAKDVKRIVVKVGTAVVTGKGGRLALGRLGAICEQLAELNSDGF
EVILVSSGAVGLGRQRLRYRQLVNSSFADLQKPQMELDGKACAGVGQSSL
MAYYETMFDQLDVTVAQMLVTDSSFRDKDFRKQLSETVKAMLRMRVIPVF
NENDAISTRWDNDSLAALLSLELKADLLILLSDVEGLYTGPPSDSTSKLI
HTFIKEKHQDEITFGERGGMTAKVKAAVNAAYGGVPVIITSGYAAENISK
VLRGLRVGTLFHQDAHLWAP
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=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)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain8j0f Chain B Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8j0f GK tetramer with adjacent hooks at reaction state
Resolution3.3 Å
Binding residue
(original residue number in PDB)		A24 D197 V198 Y202 G204 F228 G238 M239
Binding residue
(residue number reindexed from 1)		A21 D183 V184 Y188 G190 F214 G219 M220
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:0003824 catalytic activity
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:0016620 oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
Biological Process
GO:0006561 proline biosynthetic process
GO:0009084 glutamine family amino acid biosynthetic process
GO:0009555 pollen development
GO:0009793 embryo development ending in seed dormancy
GO:0016310 phosphorylation
GO:0055129 L-proline biosynthetic process
Cellular Component
GO:0005737 cytoplasm
GO:0009506 plasmodesma
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:8j0f, PDBe:8j0f, PDBj:8j0f
PDBsum8j0f
PubMed38740943
UniProtP54888|P5CS2_ARATH Delta-1-pyrroline-5-carboxylate synthase B (Gene Name=P5CSB)

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