Structure of PDB 8wi6 Chain A Binding Site BS02

Receptor Information
>8wi6 Chain A (length=381) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KNPKSDKFKVKRFHHIEFWCGDATNVARRFSWGLGMRFSAKSDLSTGNMV
HASYLLTSGDLRFLFTAPYSPSLSAGEIKPTTTASIPSFDHGSCRSFFSS
HGLGVRAVAIEVEDAESAFSISVANGAIPSSPPIVLNEAVTIAEVKLYGD
VVLRYVSYKAEFLPGFERVEDASSFPLDYGIRRLDHAVGNVPELGPALTY
VAGFTGFHQFAEFESGLNSAVLASNDEMVLLPINEPVHGTKRKSQIQTYL
EHNEGAGLQHLALMSEDIFRTLREMRKRSSIGGFDFMPSPPPTYYQNLKK
RVGDVLSDDQIKECEELGILVDRDDQGTLLQIFTKPLGDRPTIFIEIIQR
VGCMMYQSGGCGGFGKGNFSELFKSIEEYEK
Ligand information
Ligand IDN1K
InChIInChI=1S/C15H19N7O/c1-3-4-5-9-22-10-7-11-12(6-8-16-13(11)22)14(23)17-15-18-19-20-21(15)2/h6-8,10H,3-5,9H2,1-2H3,(H,17,18,20,23)
InChIKeyRKQQAUKWARWVAN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCCCCn1ccc2c(ccnc12)C(=O)Nc3nnnn3C
OpenEye OEToolkits 2.0.7CCCCCn1ccc2c1nccc2C(=O)Nc3nnnn3C
FormulaC15 H19 N7 O
NameN-(1-methyl-1,2,3,4-tetrazol-5-yl)-1-pentyl-pyrrolo[2,3-b]pyridine-4-carboxamide
ChEMBL
DrugBank
ZINC
PDB chain8wi6 Chain A Residue 502 [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]
PDB8wi6 Crystal structure of AtHPPD-ZSM824 complex
Resolution1.916 Å
Binding residue
(original residue number in PDB)		H226 S267 P280 H308 F381 F419 G420 F424 L427
Binding residue
(residue number reindexed from 1)		H186 S219 P232 H260 F333 F364 G365 F369 L372
Annotation score1
External links
PDB RCSB:8wi6, PDBe:8wi6, PDBj:8wi6
PDBsum8wi6
PubMed
UniProtP93836|HPPD_ARATH 4-hydroxyphenylpyruvate dioxygenase (Gene Name=HPD)

[Back to BioLiP]