Structure of PDB 8j0e Chain B Binding Site BS03

Receptor Information
>8j0e Chain B (length=269) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DRSRAFAKDVKRIVVKVGTAVVTGKGGRLALGRLGAICEQLAELNSDGFE
VILVSSGAVGLGRQRLRYRQLVNSSFADLQKPQMELDGKACAGVGQSSLM
AYYETMFDQLDVTVAQMLVTDSSFRDKDFRKQLSETVKAMLRMRVIPVFN
ENDAISTRFWDNDSLAALLSLELKADLLILLSDVEGLYTGPPSDSTSKLI
HTFIKEKHQDEITFGEKRGGMTAKVKAAVNAAYGGVPVIITSGYAAENIS
KVLRGLRVGTLFHQDAHLW
Ligand information
Ligand IDTKC
InChIInChI=1S/C15H23N6O16P3/c16-6(15(25)26)1-2-8(22)35-39(29,30)37-40(31,32)36-38(27,28)33-3-7-10(23)11(24)14(34-7)21-5-20-9-12(17)18-4-19-13(9)21/h4-7,10-11,14,23-24H,1-3,16H2,(H,25,26)(H,27,28)(H,29,30)(H,31,32)(H2,17,18,19)/t6-,7-,10-,11+,14-/m1/s1
InChIKeyQSUGRYKGICURGW-CMYFRRJGSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC(=O)CCC(C(=O)O)N)O)O)N
CACTVS 3.385N[CH](CCC(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O
OpenEye OEToolkits 2.0.7c1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC(=O)CC[C@H](C(=O)O)N)O)O)N
CACTVS 3.385N[C@H](CCC(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[C@H]1O[C@H]([C@@H](O)[C@@H]1O)n2cnc3c(N)ncnc23)C(O)=O
FormulaC15 H23 N6 O16 P3
Name(2~{R})-5-[[[[(2~{R},3~{S},4~{S},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-2-azanyl-5-oxidanylidene-pentanoic acid
ChEMBL
DrugBank
ZINC
PDB chain8j0e Chain B Residue 801 [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]
PDB8j0e GK monomer complexes with catalytic intermediate
Resolution3.4 Å
Binding residue
(original residue number in PDB)		K20 G22 T23 A24 S60 G61 V63 D157 N176 V198 P206 K231 R236 G237 G238 M239
Binding residue
(residue number reindexed from 1)		K16 G18 T19 A20 S56 G57 V59 D153 N162 V184 P192 K217 R218 G219 G220 M221
Annotation score3
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8j0e, PDBe:8j0e, PDBj:8j0e
PDBsum8j0e
PubMed
UniProtP54888|P5CS2_ARATH Delta-1-pyrroline-5-carboxylate synthase B (Gene Name=P5CSB)

[Back to BioLiP]