Structure of PDB 7jk9 Chain BA Binding Site BS02

Receptor Information
>7jk9 Chain BA (length=316) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LRKGNVVVTGASSGLGLATAKALAETGKWNVIMACRDFLKAERAAKSVGM
PKDSYTVMHLDLASLDSVRQFVDNFRRTETPLDVLVCNAAVYFPTAKEPT
YSAEGFELSVATNHLGHFLLARLLLDDLKKSDYPSKRLIIVGSITGNTNT
LAGNVPPKANLGDLRGLAGGLNGLNSSAMIDGGDFDGAKAYKDSKVCNML
TMQEFHRRFHEETGVTFASLYPGCIASTGLFREHIPLFRALFPPFQKYIT
KGYVSETESGKRLAQVVSDPSLTKSGVYWSWNNASASFENQLSEEASDVE
KARKVWEISEKLVGLA
Ligand information
Ligand IDPMR
InChIInChI=1S/C35H34N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22;/h8,12-14,31H,1,9-11H2,2-7H3,(H3,36,37,38,39,40,41,42);/q;+4/p-2/b22-12-,23-13-,24-12-,25-14-,26-13-,27-14-,32-30-;/t31-;/m1./s1
InChIKeyZHFORNQMLKGQNN-KKNVGXODSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)C(=C9CCC(=O)O)C)C(C(=O)c8c7C)C(=O)OC)C)C=C)C
OpenEye OEToolkits 2.0.7CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)C(=C9CCC(=O)O)C)[C@H](C(=O)c8c7C)C(=O)OC)C)C=C)C
CACTVS 3.385CCC1=C(C)C2=[N+]3C1=Cc4n5c6C(=C7C(=C(C)C8=[N+]7[Mg]35[N]9C(=C8)C(=C(C=C)C9=C2)C)CCC(O)=O)[CH](C(=O)OC)C(=O)c6c4C
CACTVS 3.385CCC1=C(C)C2=[N@+]3C1=Cc4n5c6C(=C7C(=C(C)C8=[N@+]7[Mg]35[N@]9C(=C8)C(=C(C=C)C9=C2)C)CCC(O)=O)[C@@H](C(=O)OC)C(=O)c6c4C
FormulaC35 H32 Mg N4 O5
NameProtochlorophyllide
ChEMBL
DrugBank
ZINC
PDB chain7jk9 Chain BA Residue 502 [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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PDB7jk9 Photocatalytic LPOR forms helical lattices that shape membranes for chlorophyll synthesis.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		Y177 L236 A237 Y276 Y306 C309 L315 F316 F323 F327
Binding residue
(residue number reindexed from 1)		Y92 L151 A152 Y191 Y221 C224 L230 F231 F238 F242
Annotation score1
Enzymatic activity
Enzyme Commision number 1.3.1.33: protochlorophyllide reductase.
Gene Ontology
Molecular Function
GO:0003729 mRNA binding
GO:0005515 protein binding
GO:0016491 oxidoreductase activity
GO:0016630 protochlorophyllide reductase activity
GO:0019904 protein domain specific binding
Biological Process
GO:0009723 response to ethylene
GO:0015979 photosynthesis
GO:0015995 chlorophyll biosynthetic process
Cellular Component
GO:0005829 cytosol
GO:0009507 chloroplast
GO:0009527 plastid outer membrane
GO:0009534 chloroplast thylakoid
GO:0009535 chloroplast thylakoid membrane
GO:0009579 thylakoid
GO:0009707 chloroplast outer membrane
GO:0009941 chloroplast envelope

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7jk9, PDBe:7jk9, PDBj:7jk9
PDBsum7jk9
PubMed33875834
UniProtP21218|PORB_ARATH Protochlorophyllide reductase B, chloroplastic (Gene Name=PORB)

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